3-(Cyclopentyloxy)aniline
PubChem CID
16783052
Structure
Molecular Formula
Synonyms
- 3-(cyclopentyloxy)aniline
- 653604-38-7
- 3-cyclopentyloxyaniline
- Benzenamine, 3-(cyclopentyloxy)- (9CI)
- 3-Cyclopentyloxy-phenylamine
Molecular Weight
177.24 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2007-11-13
- Modify:2024-12-07
Chemical Structure Depiction
3-cyclopentyloxyaniline
Computed by Lexichem TK 2.7.0 (PubChem release 2021.05.07)
InChI=1S/C11H15NO/c12-9-4-3-7-11(8-9)13-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,12H2
Computed by InChI 1.0.6 (PubChem release 2021.05.07)
XQNLSQQEYXXVRM-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.05.07)
C1CCC(C1)OC2=CC=CC(=C2)N
Computed by OEChem 2.3.0 (PubChem release 2021.05.07)
C11H15NO
Computed by PubChem 2.1 (PubChem release 2021.05.07)
653604-38-7
- 3-(cyclopentyloxy)aniline
- 653604-38-7
- 3-cyclopentyloxyaniline
- Benzenamine, 3-(cyclopentyloxy)- (9CI)
- 3-Cyclopentyloxy-phenylamine
- MFCD09036966
- SCHEMBL1029569
- [3-(cyclopentyloxy)phenyl]amine
- DTXSID00588419
- [3-(cyclopentyloxy)phenyl]-amine
- XQNLSQQEYXXVRM-UHFFFAOYSA-N
- AKOS000138462
- NCGC00338996-01
- DA-03888
- CS-0117189
- EN300-30745
- AB01330715-02
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
177.24 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3-AA
Property Value
2.5
Reference
Computed by XLogP3 3.0 (PubChem release 2021.05.07)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Rotatable Bond Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Exact Mass
Property Value
177.115364102 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
177.115364102 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
35.2Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Heavy Atom Count
Property Value
13
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
154
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2011.04.04)
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Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=XQNLSQQEYXXVRM-UHFFFAOYSA-N
- EPA DSSTox3-(Cyclopentyloxy)anilinehttps://comptox.epa.gov/dashboard/DTXSID00588419
- Wikidata3-(Cyclopentyloxy)anilinehttps://www.wikidata.org/wiki/Q82481079
- PubChem
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 391248882https://pubchem.ncbi.nlm.nih.gov/substance/391248882
CONTENTS