3-chloro-N,N-bis(2-phenylethyl)aniline

C22H22ClN — CID 3851845

IUPAC3-chloro-N,N-bis(2-phenylethyl)aniline
SMILESClc1cccc(N(CCc2ccccc2)CCc2ccccc2)c1
InChIInChI=1S/C22H22ClN/c23-21-12-7-13-22(18-21)24(16-14-19-8-3-1-4-9-19)17-15-20-10-5-2-6-11-20/h1-13,18H,14-17H2
InChIKeyCXJAZLZEXQVULL-UHFFFAOYSA-N
MW335.88 g/mol
LogP5.63
Rot. Bonds7

About 3-chloro-N,N-bis(2-phenylethyl)aniline

3-chloro-N,N-bis(2-phenylethyl)aniline (PubChem CID 3851845) has the molecular formula C22H22ClN and a molecular weight of 335.88 g/mol. Its IUPAC name is 3-chloro-N,N-bis(2-phenylethyl)aniline.

Molecular Properties

Compound Name3-chloro-N,N-bis(2-phenylethyl)aniline
PubChem CID3851845
Molecular FormulaC22H22ClN
Molecular Weight335.88 g/mol
Exact Mass335.14
IUPAC Name3-chloro-N,N-bis(2-phenylethyl)aniline
SMILESClc1cccc(N(CCc2ccccc2)CCc2ccccc2)c1
InChIInChI=1S/C22H22ClN/c23-21-12-7-13-22(18-21)24(16-14-19-8-3-1-4-9-19)17-15-20-10-5-2-6-11-20/h1-13,18H,14-17H2
InChIKeyCXJAZLZEXQVULL-UHFFFAOYSA-N
XLogP5.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.88
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chlorophenyl)-1-(2-phenylethyl)thiourea
CID 174322403
N-(2-chloroethyl)-N-(2-phenylethyl)aniline
CID 54214793
N-benzyl-3-chloro-N-phenylaniline
CID 13283792
N-butyl-3-chloro-N-(2-phenylmethoxyethyl)aniline
CID 54564571
ethane;N'-(3-ethylphenyl)-N,N-dimethyl-N'-(2-phenylethyl)propane-1,3-diamine
CID 143170107
3-[3-methyl-N-(2-phenylethyl)anilino]propanenitrile
CID 22761568
3-chloro-N,N-bis(prop-2-ynyl)aniline
CID 5001996
3-chloro-N,N-bis(2-ethenoxyethyl)aniline
CID 22336314
3-[3-chloro-N-[(3-fluorophenyl)methyl]anilino]propanoic acid
CID 95532653
N-butyl-3-nitro-N-(2-phenylethyl)aniline
CID 5152973
N,N-bis(5-phenylpentyl)aniline
CID 173233703
N-butyl-3-chloro-N-phenylaniline
CID 23348476

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,N-bis(2-phenylethyl)aniline?
The IUPAC name of 3-chloro-N,N-bis(2-phenylethyl)aniline (CID 3851845) is 3-chloro-N,N-bis(2-phenylethyl)aniline.
What is the SMILES notation for 3-chloro-N,N-bis(2-phenylethyl)aniline?
The canonical SMILES for 3-chloro-N,N-bis(2-phenylethyl)aniline is Clc1cccc(N(CCc2ccccc2)CCc2ccccc2)c1.
What is the InChIKey of 3-chloro-N,N-bis(2-phenylethyl)aniline?
The InChIKey is CXJAZLZEXQVULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN/c23-21-12-7-13-22(18-21)24(16-14-19-8-3-1-4-9-19)17-15-20-10-5-2-6-11-20/h1-13,18H,14-17H2.
What are the key properties of 3-chloro-N,N-bis(2-phenylethyl)aniline?
3-chloro-N,N-bis(2-phenylethyl)aniline has a molecular weight of 335.88 g/mol, XLogP of 5.63, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,N-bis(2-phenylethyl)aniline is sourced from PubChem (CID 3851845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).