4-(3-chlorophenyl)-4,4-diphenylbutan-1-amine

C22H22ClN — CID 57326677

IUPAC4-(3-chlorophenyl)-4,4-diphenylbutan-1-amine
SMILESNCCCC(c1ccccc1)(c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C22H22ClN/c23-21-14-7-13-20(17-21)22(15-8-16-24,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-7,9-14,17H,8,15-16,24H2
InChIKeyUNQGPYNRFJJJJD-UHFFFAOYSA-N
MW335.88 g/mol
LogP5.41
Rot. Bonds6

About 4-(3-chlorophenyl)-4,4-diphenylbutan-1-amine

4-(3-chlorophenyl)-4,4-diphenylbutan-1-amine (PubChem CID 57326677) has the molecular formula C22H22ClN and a molecular weight of 335.88 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-4,4-diphenylbutan-1-amine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-4,4-diphenylbutan-1-amine
PubChem CID57326677
Molecular FormulaC22H22ClN
Molecular Weight335.88 g/mol
Exact Mass335.14
IUPAC Name4-(3-chlorophenyl)-4,4-diphenylbutan-1-amine
SMILESNCCCC(c1ccccc1)(c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C22H22ClN/c23-21-14-7-13-20(17-21)22(15-8-16-24,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-7,9-14,17H,8,15-16,24H2
InChIKeyUNQGPYNRFJJJJD-UHFFFAOYSA-N
XLogP5.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.88
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1-chloro-4-[1-(4-chlorophenyl)-1-phenylpentyl]benzene
CID 57254584
3,3,3-triphenylpropan-1-amine
CID 10125450
3-(3-chlorophenyl)-3-ethylpentan-1-amine
CID 83823434
ethyl 5-amino-2-(3-chlorophenyl)-2-methylpentanoate
CID 117049814
1-chloro-3-tritylbenzene
CID 14737306
2-(3-chlorophenyl)-2-fluoropentan-1-amine
CID 112567951
2-(3-chlorophenyl)-5-phenylpentan-2-amine
CID 55095968
10,10,10-triphenyldecylhydrazine
CID 150931504
CID 123237849
CID 123237849
1-(3-chlorophenyl)-4-(dimethylamino)-1-phenylbutan-1-ol
CID 24834786
1-chloro-3-[1-chloro-2-(chloromethyl)hexan-2-yl]benzene
CID 79453495
(2R)-2-(3-chlorophenyl)pentan-2-ol
CID 93299128

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-4,4-diphenylbutan-1-amine?
The IUPAC name of 4-(3-chlorophenyl)-4,4-diphenylbutan-1-amine (CID 57326677) is 4-(3-chlorophenyl)-4,4-diphenylbutan-1-amine.
What is the SMILES notation for 4-(3-chlorophenyl)-4,4-diphenylbutan-1-amine?
The canonical SMILES for 4-(3-chlorophenyl)-4,4-diphenylbutan-1-amine is NCCCC(c1ccccc1)(c1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of 4-(3-chlorophenyl)-4,4-diphenylbutan-1-amine?
The InChIKey is UNQGPYNRFJJJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN/c23-21-14-7-13-20(17-21)22(15-8-16-24,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-7,9-14,17H,8,15-16,24H2.
What are the key properties of 4-(3-chlorophenyl)-4,4-diphenylbutan-1-amine?
4-(3-chlorophenyl)-4,4-diphenylbutan-1-amine has a molecular weight of 335.88 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-4,4-diphenylbutan-1-amine is sourced from PubChem (CID 57326677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).