3-methyl-1-phenyl-N-[(1S)-1-phenylethyl]butan-1-amine

C19H25N — CID 81351399

IUPAC3-methyl-1-phenyl-N-[(1S)-1-phenylethyl]butan-1-amine
SMILESCC(C)CC(N[C@@H](C)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H25N/c1-15(2)14-19(18-12-8-5-9-13-18)20-16(3)17-10-6-4-7-11-17/h4-13,15-16,19-20H,14H2,1-3H3/t16-,19?/m0/s1
InChIKeySQLCCTICQVDPGR-UCFFOFKASA-N
MW267.42 g/mol
LogP5.12
Rot. Bonds6

About 3-methyl-1-phenyl-N-[(1S)-1-phenylethyl]butan-1-amine

3-methyl-1-phenyl-N-[(1S)-1-phenylethyl]butan-1-amine (PubChem CID 81351399) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is 3-methyl-1-phenyl-N-[(1S)-1-phenylethyl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-1-phenyl-N-[(1S)-1-phenylethyl]butan-1-amine
PubChem CID81351399
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC Name3-methyl-1-phenyl-N-[(1S)-1-phenylethyl]butan-1-amine
SMILESCC(C)CC(N[C@@H](C)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H25N/c1-15(2)14-19(18-12-8-5-9-13-18)20-16(3)17-10-6-4-7-11-17/h4-13,15-16,19-20H,14H2,1-3H3/t16-,19?/m0/s1
InChIKeySQLCCTICQVDPGR-UCFFOFKASA-N
XLogP5.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.42
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-methyl-1-phenyl-N-[(1S)-1-phenylethyl]butan-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

3-methyl-1-phenyl-N-(1-phenylethyl)butan-1-amine
CID 43081295
3-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-1-phenylbutan-1-amine
CID 81348350
3-methyl-1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]butan-1-amine
CID 81405533
2,6-dimethyl-N-(3-methyl-1-phenylbutyl)heptan-4-amine
CID 63438592
1-phenyl-N-[(1S)-1-phenylethyl]propan-1-amine
CID 78956018
N-[(1R)-1-(furan-2-yl)ethyl]-3-methyl-1-phenylbutan-1-amine
CID 81403421
1-phenyl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 43712916
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-methyl-1-phenylbutan-1-amine
CID 61193320
3-methyl-N-(3-methyl-1-phenylbutyl)-2-propan-2-ylbutan-1-amine
CID 102904029
3,3,3-trifluoro-1-phenyl-N-(1-phenylethyl)propan-1-amine
CID 43755979
1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 81351883
(2R)-4-methyl-2-N-[(1S)-1-phenylethyl]pentane-1,2-diamine
CID 52908228

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenyl-N-[(1S)-1-phenylethyl]butan-1-amine?
The IUPAC name of 3-methyl-1-phenyl-N-[(1S)-1-phenylethyl]butan-1-amine (CID 81351399) is 3-methyl-1-phenyl-N-[(1S)-1-phenylethyl]butan-1-amine.
What is the SMILES notation for 3-methyl-1-phenyl-N-[(1S)-1-phenylethyl]butan-1-amine?
The canonical SMILES for 3-methyl-1-phenyl-N-[(1S)-1-phenylethyl]butan-1-amine is CC(C)CC(N[C@@H](C)c1ccccc1)c1ccccc1.
What is the InChIKey of 3-methyl-1-phenyl-N-[(1S)-1-phenylethyl]butan-1-amine?
The InChIKey is SQLCCTICQVDPGR-UCFFOFKASA-N. The full InChI is InChI=1S/C19H25N/c1-15(2)14-19(18-12-8-5-9-13-18)20-16(3)17-10-6-4-7-11-17/h4-13,15-16,19-20H,14H2,1-3H3/t16-,19?/m0/s1.
What are the key properties of 3-methyl-1-phenyl-N-[(1S)-1-phenylethyl]butan-1-amine?
3-methyl-1-phenyl-N-[(1S)-1-phenylethyl]butan-1-amine has a molecular weight of 267.42 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenyl-N-[(1S)-1-phenylethyl]butan-1-amine is sourced from PubChem (CID 81351399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).