1-(3-chlorophenyl)-N,3-dimethyl-3-phenylbutan-2-amine

C18H22ClN — CID 63086067

IUPAC1-(3-chlorophenyl)-N,3-dimethyl-3-phenylbutan-2-amine
SMILESCNC(Cc1cccc(Cl)c1)C(C)(C)c1ccccc1
InChIInChI=1S/C18H22ClN/c1-18(2,15-9-5-4-6-10-15)17(20-3)13-14-8-7-11-16(19)12-14/h4-12,17,20H,13H2,1-3H3
InChIKeyCOUVAGQKFSLEDB-UHFFFAOYSA-N
MW287.83 g/mol
LogP4.45
Rot. Bonds5

About 1-(3-chlorophenyl)-N,3-dimethyl-3-phenylbutan-2-amine

1-(3-chlorophenyl)-N,3-dimethyl-3-phenylbutan-2-amine (PubChem CID 63086067) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N,3-dimethyl-3-phenylbutan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N,3-dimethyl-3-phenylbutan-2-amine
PubChem CID63086067
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC Name1-(3-chlorophenyl)-N,3-dimethyl-3-phenylbutan-2-amine
SMILESCNC(Cc1cccc(Cl)c1)C(C)(C)c1ccccc1
InChIInChI=1S/C18H22ClN/c1-18(2,15-9-5-4-6-10-15)17(20-3)13-14-8-7-11-16(19)12-14/h4-12,17,20H,13H2,1-3H3
InChIKeyCOUVAGQKFSLEDB-UHFFFAOYSA-N
XLogP4.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.83
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3-chlorophenyl)-N,3-dimethyl-3-phenylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(3-chloro-4-fluorophenyl)-3-methyl-3-phenylbutan-2-yl]hydrazine
CID 103043854
N,3-dimethyl-1-(2-methylphenyl)-3-phenylbutan-2-amine
CID 63084673
1-(3-chlorophenyl)-N,3-dimethylbutan-2-amine
CID 60819864
1-(3-chlorophenyl)-3-(4-chlorophenyl)-N-methylpropan-2-amine
CID 60820361
1-ethoxy-N,3-dimethyl-3-phenylbutan-2-amine
CID 79574847
N-[(3-chlorophenyl)methyl]-2-methyl-2-phenylpropan-1-amine
CID 63452100
1,1,1-trifluoro-N-methyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 66468158
1-(3-chlorophenyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine
CID 116725602
1-(3-chlorophenyl)-N-methyl-3-pyridin-2-ylpropan-2-amine
CID 54919483
1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)-N-methylethanamine
CID 62504958
2-[(3-chlorophenyl)methyl]-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 83138262
2-(3-chlorophenyl)-N-(2-phenylpropan-2-yl)acetamide
CID 13118326

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N,3-dimethyl-3-phenylbutan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-N,3-dimethyl-3-phenylbutan-2-amine (CID 63086067) is 1-(3-chlorophenyl)-N,3-dimethyl-3-phenylbutan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N,3-dimethyl-3-phenylbutan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N,3-dimethyl-3-phenylbutan-2-amine is CNC(Cc1cccc(Cl)c1)C(C)(C)c1ccccc1.
What is the InChIKey of 1-(3-chlorophenyl)-N,3-dimethyl-3-phenylbutan-2-amine?
The InChIKey is COUVAGQKFSLEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN/c1-18(2,15-9-5-4-6-10-15)17(20-3)13-14-8-7-11-16(19)12-14/h4-12,17,20H,13H2,1-3H3.
What are the key properties of 1-(3-chlorophenyl)-N,3-dimethyl-3-phenylbutan-2-amine?
1-(3-chlorophenyl)-N,3-dimethyl-3-phenylbutan-2-amine has a molecular weight of 287.83 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N,3-dimethyl-3-phenylbutan-2-amine is sourced from PubChem (CID 63086067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).