N-[2-(3-methylphenyl)ethyl]-1-phenylbutan-1-amine

C19H25N — CID 63477461

IUPACN-[2-(3-methylphenyl)ethyl]-1-phenylbutan-1-amine
SMILESCCCC(NCCc1cccc(C)c1)c1ccccc1
InChIInChI=1S/C19H25N/c1-3-8-19(18-11-5-4-6-12-18)20-14-13-17-10-7-9-16(2)15-17/h4-7,9-12,15,19-20H,3,8,13-14H2,1-2H3
InChIKeyMGBDFYVHGHSOTQ-UHFFFAOYSA-N
MW267.42 g/mol
LogP4.67
Rot. Bonds7

About N-[2-(3-methylphenyl)ethyl]-1-phenylbutan-1-amine

N-[2-(3-methylphenyl)ethyl]-1-phenylbutan-1-amine (PubChem CID 63477461) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is N-[2-(3-methylphenyl)ethyl]-1-phenylbutan-1-amine.

Molecular Properties

Compound NameN-[2-(3-methylphenyl)ethyl]-1-phenylbutan-1-amine
PubChem CID63477461
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC NameN-[2-(3-methylphenyl)ethyl]-1-phenylbutan-1-amine
SMILESCCCC(NCCc1cccc(C)c1)c1ccccc1
InChIInChI=1S/C19H25N/c1-3-8-19(18-11-5-4-6-12-18)20-14-13-17-10-7-9-16(2)15-17/h4-7,9-12,15,19-20H,3,8,13-14H2,1-2H3
InChIKeyMGBDFYVHGHSOTQ-UHFFFAOYSA-N
XLogP4.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromophenyl)-N-[2-(3-methylphenyl)ethyl]propan-1-amine
CID 63478154
1-phenyl-N-(3-phenylpropyl)butan-1-amine;hydrochloride
CID 3027694
4-(3-methylphenyl)-N-(1-phenylpropyl)butan-2-amine
CID 63476581
N-ethyl-1-(3-methylphenyl)butan-1-amine
CID 60818713
2-[1-[2-(3-methylphenyl)ethylamino]propyl]phenol
CID 62315349
N-[2-(3-methylphenyl)ethyl]propan-2-amine
CID 62315169
N-(3,3-diphenylpropyl)-1-phenylbutan-1-amine
CID 20642754
(1R)-1-(3-methylphenyl)-N-(2-phenylethyl)ethanamine
CID 81364217
N-[2-(3-methylphenyl)ethyl]-3-phenylbutan-1-amine
CID 62313909
3-(3,4-dimethylphenyl)-1-phenyl-N-propylpropan-1-amine
CID 63400239
4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 63477631
2,5-dimethyl-N-(1-phenylbutyl)aniline
CID 43110358

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenyl)ethyl]-1-phenylbutan-1-amine?
The IUPAC name of N-[2-(3-methylphenyl)ethyl]-1-phenylbutan-1-amine (CID 63477461) is N-[2-(3-methylphenyl)ethyl]-1-phenylbutan-1-amine.
What is the SMILES notation for N-[2-(3-methylphenyl)ethyl]-1-phenylbutan-1-amine?
The canonical SMILES for N-[2-(3-methylphenyl)ethyl]-1-phenylbutan-1-amine is CCCC(NCCc1cccc(C)c1)c1ccccc1.
What is the InChIKey of N-[2-(3-methylphenyl)ethyl]-1-phenylbutan-1-amine?
The InChIKey is MGBDFYVHGHSOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-3-8-19(18-11-5-4-6-12-18)20-14-13-17-10-7-9-16(2)15-17/h4-7,9-12,15,19-20H,3,8,13-14H2,1-2H3.
What are the key properties of N-[2-(3-methylphenyl)ethyl]-1-phenylbutan-1-amine?
N-[2-(3-methylphenyl)ethyl]-1-phenylbutan-1-amine has a molecular weight of 267.42 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenyl)ethyl]-1-phenylbutan-1-amine is sourced from PubChem (CID 63477461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).