4-chloro-N-(1,3-diphenylpropan-2-yl)aniline

C21H20ClN — CID 175391437

IUPAC4-chloro-N-(1,3-diphenylpropan-2-yl)aniline
SMILESClc1ccc(NC(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C21H20ClN/c22-19-11-13-20(14-12-19)23-21(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-14,21,23H,15-16H2
InChIKeyNXKAUYBWNQFNMJ-UHFFFAOYSA-N
MW321.85 g/mol
LogP5.61
Rot. Bonds6

About 4-chloro-N-(1,3-diphenylpropan-2-yl)aniline

4-chloro-N-(1,3-diphenylpropan-2-yl)aniline (PubChem CID 175391437) has the molecular formula C21H20ClN and a molecular weight of 321.85 g/mol. Its IUPAC name is 4-chloro-N-(1,3-diphenylpropan-2-yl)aniline.

Molecular Properties

Compound Name4-chloro-N-(1,3-diphenylpropan-2-yl)aniline
PubChem CID175391437
Molecular FormulaC21H20ClN
Molecular Weight321.85 g/mol
Exact Mass321.13
IUPAC Name4-chloro-N-(1,3-diphenylpropan-2-yl)aniline
SMILESClc1ccc(NC(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C21H20ClN/c22-19-11-13-20(14-12-19)23-21(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-14,21,23H,15-16H2
InChIKeyNXKAUYBWNQFNMJ-UHFFFAOYSA-N
XLogP5.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.85
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-dichloro-N-(1-phenylbutan-2-yl)aniline
CID 79007274
1-(4-chlorophenoxy)-N-methyl-3-phenylpropan-2-amine
CID 105084979
N-[(2S)-4-methyl-1-phenylpentan-2-yl]aniline
CID 86314144
2-(4-bromoanilino)-3-phenylpropan-1-ol
CID 61049860
(2S)-N-(4-chlorophenyl)-2-methyl-3-phenylpropanamide
CID 793554
2-(4-chloroanilino)-4-phenylbutanenitrile
CID 55129359
N-benzyl-4-chloroaniline chloride
CID 45109713
1-(4-chlorophenyl)-2-phenylethanol
CID 10966396
4-tert-butyl-N-(1-phenylbutan-2-yl)aniline
CID 79008661
(3R)-3-(benzylamino)-4-(4-chlorophenyl)butanoic acid
CID 69226473
4-methylsulfanyl-N-(1-phenylbutan-2-yl)aniline
CID 79007433
1-chloro-4-(2-isocyano-3-phenylpropyl)benzene
CID 22215070

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1,3-diphenylpropan-2-yl)aniline?
The IUPAC name of 4-chloro-N-(1,3-diphenylpropan-2-yl)aniline (CID 175391437) is 4-chloro-N-(1,3-diphenylpropan-2-yl)aniline.
What is the SMILES notation for 4-chloro-N-(1,3-diphenylpropan-2-yl)aniline?
The canonical SMILES for 4-chloro-N-(1,3-diphenylpropan-2-yl)aniline is Clc1ccc(NC(Cc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of 4-chloro-N-(1,3-diphenylpropan-2-yl)aniline?
The InChIKey is NXKAUYBWNQFNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN/c22-19-11-13-20(14-12-19)23-21(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-14,21,23H,15-16H2.
What are the key properties of 4-chloro-N-(1,3-diphenylpropan-2-yl)aniline?
4-chloro-N-(1,3-diphenylpropan-2-yl)aniline has a molecular weight of 321.85 g/mol, XLogP of 5.61, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1,3-diphenylpropan-2-yl)aniline is sourced from PubChem (CID 175391437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).