CID 28299570
PubChem CID
28299570
Structure
Molecular Formula
Status
Non-live
Molecular Weight
254.37 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
3-[(1S)-1-(N-ethylanilino)propyl]aniline
InChI=1S/C17H22N2/c1-3-17(14-9-8-10-15(18)13-14)19(4-2)16-11-6-5-7-12-16/h5-13,17H,3-4,18H2,1-2H3/t17-/m0/s1
ZJRAYGYFQMEVRJ-KRWDZBQOSA-N
CC[C@@H](C1=CC(=CC=C1)N)N(CC)C2=CC=CC=C2
C17H22N2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
254.37 g/mol
Property Name
XLogP3-AA
Property Value
4.2
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
254.178298710 g/mol
Property Name
Monoisotopic Mass
Property Value
254.178298710 g/mol
Property Name
Topological Polar Surface Area
Property Value
29.3 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
248
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
Old substance
CONTENTS