3-methyl-N-[(4-methylphenyl)methyl]-1-phenylbutan-1-amine

C19H25N — CID 43080193

IUPAC3-methyl-N-[(4-methylphenyl)methyl]-1-phenylbutan-1-amine
SMILESCc1ccc(CNC(CC(C)C)c2ccccc2)cc1
InChIInChI=1S/C19H25N/c1-15(2)13-19(18-7-5-4-6-8-18)20-14-17-11-9-16(3)10-12-17/h4-12,15,19-20H,13-14H2,1-3H3
InChIKeyHZOMXHNFPAEXDS-UHFFFAOYSA-N
MW267.42 g/mol
LogP4.87
Rot. Bonds6

About 3-methyl-N-[(4-methylphenyl)methyl]-1-phenylbutan-1-amine

3-methyl-N-[(4-methylphenyl)methyl]-1-phenylbutan-1-amine (PubChem CID 43080193) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is 3-methyl-N-[(4-methylphenyl)methyl]-1-phenylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[(4-methylphenyl)methyl]-1-phenylbutan-1-amine
PubChem CID43080193
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC Name3-methyl-N-[(4-methylphenyl)methyl]-1-phenylbutan-1-amine
SMILESCc1ccc(CNC(CC(C)C)c2ccccc2)cc1
InChIInChI=1S/C19H25N/c1-15(2)13-19(18-7-5-4-6-8-18)20-14-17-11-9-16(3)10-12-17/h4-12,15,19-20H,13-14H2,1-3H3
InChIKeyHZOMXHNFPAEXDS-UHFFFAOYSA-N
XLogP4.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,3R)-1-(benzylamino)-5-methyl-1-phenylhexan-3-ol
CID 11109270
4-[[(3-methyl-1-phenylbutyl)amino]methyl]benzene-1,2-diol
CID 43224537
N-[(4-methylphenyl)methyl]-1-phenylethanamine;hydrochloride
CID 15945718
3-[(4-methylphenyl)methylamino]-3-phenylpropanamide
CID 22386201
3-methyl-N-[(1-methylpyrrol-3-yl)methyl]-1-phenylbutan-1-amine
CID 66398321
N-[(4-bromo-3-fluorophenyl)methyl]-3-methyl-1-phenylbutan-1-amine
CID 81431276
3-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-1-phenylbutan-1-amine
CID 81348350
(1S,3S)-1-(benzylamino)-4-methyl-1-phenylpentan-3-ol
CID 102600646
1-[(3-methyl-1-phenylbutyl)amino]propan-2-ol
CID 43499366
3-methyl-N-(3-methyl-1-phenylbutyl)-2-propan-2-ylbutan-1-amine
CID 102904029
2-[(4-methylphenyl)methylamino]-2-phenylacetic acid
CID 55036353
3-methyl-N-[(3-methyl-4-pyridinyl)methyl]-1-phenylbutan-1-amine
CID 114698805

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(4-methylphenyl)methyl]-1-phenylbutan-1-amine?
The IUPAC name of 3-methyl-N-[(4-methylphenyl)methyl]-1-phenylbutan-1-amine (CID 43080193) is 3-methyl-N-[(4-methylphenyl)methyl]-1-phenylbutan-1-amine.
What is the SMILES notation for 3-methyl-N-[(4-methylphenyl)methyl]-1-phenylbutan-1-amine?
The canonical SMILES for 3-methyl-N-[(4-methylphenyl)methyl]-1-phenylbutan-1-amine is Cc1ccc(CNC(CC(C)C)c2ccccc2)cc1.
What is the InChIKey of 3-methyl-N-[(4-methylphenyl)methyl]-1-phenylbutan-1-amine?
The InChIKey is HZOMXHNFPAEXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-15(2)13-19(18-7-5-4-6-8-18)20-14-17-11-9-16(3)10-12-17/h4-12,15,19-20H,13-14H2,1-3H3.
What are the key properties of 3-methyl-N-[(4-methylphenyl)methyl]-1-phenylbutan-1-amine?
3-methyl-N-[(4-methylphenyl)methyl]-1-phenylbutan-1-amine has a molecular weight of 267.42 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(4-methylphenyl)methyl]-1-phenylbutan-1-amine is sourced from PubChem (CID 43080193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).