4-(4-methylphenyl)-1-phenylbutan-2-amine

C17H21N — CID 55084075

IUPAC4-(4-methylphenyl)-1-phenylbutan-2-amine
SMILESCc1ccc(CCC(N)Cc2ccccc2)cc1
InChIInChI=1S/C17H21N/c1-14-7-9-15(10-8-14)11-12-17(18)13-16-5-3-2-4-6-16/h2-10,17H,11-13,18H2,1H3
InChIKeyRLZVQIDVQQHMFC-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.50
Rot. Bonds5

About 4-(4-methylphenyl)-1-phenylbutan-2-amine

4-(4-methylphenyl)-1-phenylbutan-2-amine (PubChem CID 55084075) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-(4-methylphenyl)-1-phenylbutan-2-amine.

Molecular Properties

Compound Name4-(4-methylphenyl)-1-phenylbutan-2-amine
PubChem CID55084075
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name4-(4-methylphenyl)-1-phenylbutan-2-amine
SMILESCc1ccc(CCC(N)Cc2ccccc2)cc1
InChIInChI=1S/C17H21N/c1-14-7-9-15(10-8-14)11-12-17(18)13-16-5-3-2-4-6-16/h2-10,17H,11-13,18H2,1H3
InChIKeyRLZVQIDVQQHMFC-UHFFFAOYSA-N
XLogP3.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(4-methylphenyl)-1-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

1,4-diphenylbutan-2-amine
CID 60820174
(2S,5R)-1,7-diphenylheptane-2,5-diamine
CID 126603451
1-(4-tert-butylphenyl)-4-phenylbutan-2-amine
CID 63417179
[1-(4-methylphenyl)-4-phenylbutan-2-yl]hydrazine
CID 105205750
(2R,5R)-1,6-diphenylhexane-2,5-diamine;methane
CID 160625551
4-(furan-2-yl)-1-(4-methylphenyl)butan-2-amine
CID 61077814
1-(4-methylphenyl)-5-phenoxypentan-2-amine
CID 62936792
1,4-bis(3-methylphenyl)butan-2-amine
CID 62390102
(3S)-3-amino-5-(4-methylphenyl)pentanoic acid
CID 174696804
(3R)-1-phenylhexan-3-amine
CID 66612996
(2S)-2-amino-3-(4-methylphenyl)propan-1-ol
CID 28804561
1-(4-methylphenyl)-5-phenylpentan-2-ol
CID 62606393

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-1-phenylbutan-2-amine?
The IUPAC name of 4-(4-methylphenyl)-1-phenylbutan-2-amine (CID 55084075) is 4-(4-methylphenyl)-1-phenylbutan-2-amine.
What is the SMILES notation for 4-(4-methylphenyl)-1-phenylbutan-2-amine?
The canonical SMILES for 4-(4-methylphenyl)-1-phenylbutan-2-amine is Cc1ccc(CCC(N)Cc2ccccc2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-1-phenylbutan-2-amine?
The InChIKey is RLZVQIDVQQHMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-14-7-9-15(10-8-14)11-12-17(18)13-16-5-3-2-4-6-16/h2-10,17H,11-13,18H2,1H3.
What are the key properties of 4-(4-methylphenyl)-1-phenylbutan-2-amine?
4-(4-methylphenyl)-1-phenylbutan-2-amine has a molecular weight of 239.36 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-1-phenylbutan-2-amine is sourced from PubChem (CID 55084075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).