4-(3-chlorophenyl)-N-methyl-2-phenylbutan-1-amine

C17H20ClN — CID 81023908

IUPAC4-(3-chlorophenyl)-N-methyl-2-phenylbutan-1-amine
SMILESCNCC(CCc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C17H20ClN/c1-19-13-16(15-7-3-2-4-8-15)11-10-14-6-5-9-17(18)12-14/h2-9,12,16,19H,10-11,13H2,1H3
InChIKeyYVRURJBIAIJINN-UHFFFAOYSA-N
MW273.81 g/mol
LogP4.28
Rot. Bonds6

About 4-(3-chlorophenyl)-N-methyl-2-phenylbutan-1-amine

4-(3-chlorophenyl)-N-methyl-2-phenylbutan-1-amine (PubChem CID 81023908) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-methyl-2-phenylbutan-1-amine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-methyl-2-phenylbutan-1-amine
PubChem CID81023908
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC Name4-(3-chlorophenyl)-N-methyl-2-phenylbutan-1-amine
SMILESCNCC(CCc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C17H20ClN/c1-19-13-16(15-7-3-2-4-8-15)11-10-14-6-5-9-17(18)12-14/h2-9,12,16,19H,10-11,13H2,1H3
InChIKeyYVRURJBIAIJINN-UHFFFAOYSA-N
XLogP4.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(3-chlorophenyl)-N-methyl-2-phenylbutan-1-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-chloro-3-(3-phenylbutyl)benzene
CID 173298175
4-(2,3-dichlorophenyl)-N-methyl-2-phenylbutan-1-amine
CID 107311080
N-ethyl-2,4-diphenylbutan-1-amine
CID 81024071
2-(4-chlorophenyl)-N-methyl-3-phenylpropan-1-amine
CID 79441799
4-(2-bromophenyl)-N-methyl-2-phenylbutan-1-amine
CID 81024067
2-(3-chlorophenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 79442808
3-(5-chloro-2-fluorophenyl)-N-methyl-2-phenylpropan-1-amine
CID 103049752
2-(3-chlorophenyl)-4-ethoxy-N-methylbutan-1-amine
CID 79442885
N-[2-(3-chlorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 79202005
4-(3-bromophenyl)-N-ethyl-2-phenylbutan-1-amine
CID 81024527
2-(3-chlorophenyl)-3-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79443251
2-(3-chlorophenyl)-N-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 79442661

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-methyl-2-phenylbutan-1-amine?
The IUPAC name of 4-(3-chlorophenyl)-N-methyl-2-phenylbutan-1-amine (CID 81023908) is 4-(3-chlorophenyl)-N-methyl-2-phenylbutan-1-amine.
What is the SMILES notation for 4-(3-chlorophenyl)-N-methyl-2-phenylbutan-1-amine?
The canonical SMILES for 4-(3-chlorophenyl)-N-methyl-2-phenylbutan-1-amine is CNCC(CCc1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of 4-(3-chlorophenyl)-N-methyl-2-phenylbutan-1-amine?
The InChIKey is YVRURJBIAIJINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN/c1-19-13-16(15-7-3-2-4-8-15)11-10-14-6-5-9-17(18)12-14/h2-9,12,16,19H,10-11,13H2,1H3.
What are the key properties of 4-(3-chlorophenyl)-N-methyl-2-phenylbutan-1-amine?
4-(3-chlorophenyl)-N-methyl-2-phenylbutan-1-amine has a molecular weight of 273.81 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-methyl-2-phenylbutan-1-amine is sourced from PubChem (CID 81023908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).