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

C19H25N — CID 62313909

IUPACN-[2-(3-methylphenyl)ethyl]-3-phenylbutan-1-amine
SMILESCc1cccc(CCNCCC(C)c2ccccc2)c1
InChIInChI=1S/C19H25N/c1-16-7-6-8-18(15-16)12-14-20-13-11-17(2)19-9-4-3-5-10-19/h3-10,15,17,20H,11-14H2,1-2H3
InChIKeyVDNNEUKUKWDBRQ-UHFFFAOYSA-N
MW267.42 g/mol
LogP4.32
Rot. Bonds7

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

N-[2-(3-methylphenyl)ethyl]-3-phenylbutan-1-amine (PubChem CID 62313909) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is N-[2-(3-methylphenyl)ethyl]-3-phenylbutan-1-amine.

Molecular Properties

Compound NameN-[2-(3-methylphenyl)ethyl]-3-phenylbutan-1-amine
PubChem CID62313909
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC NameN-[2-(3-methylphenyl)ethyl]-3-phenylbutan-1-amine
SMILESCc1cccc(CCNCCC(C)c2ccccc2)c1
InChIInChI=1S/C19H25N/c1-16-7-6-8-18(15-16)12-14-20-13-11-17(2)19-9-4-3-5-10-19/h3-10,15,17,20H,11-14H2,1-2H3
InChIKeyVDNNEUKUKWDBRQ-UHFFFAOYSA-N
XLogP4.32
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 ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-methylphenyl)ethyl]-2-phenylpropan-1-amine
CID 62315355
1-methyl-3-(3-phenylbutyl)benzene
CID 173297999
4-phenyl-N-(2-phenylethyl)pentan-1-amine
CID 57323485
4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 63477631
N-[2-(3-methylphenyl)ethyl]-1-phenylbutan-1-amine
CID 63477461
4-(3-methylphenyl)-N-(1-phenylpropyl)butan-2-amine
CID 63476581
2-(3-methylphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 55062468
3-(3-methylphenyl)-N-(2-methylpropyl)butan-1-amine
CID 81019471
(2R)-1-[2-(3-methylphenyl)ethylamino]propan-2-ol
CID 106932064
N-[(5-methyl-3-pyridinyl)methyl]-3-phenylbutan-1-amine
CID 102880849
(1R)-1-(3-methylphenyl)-N-(2-phenylethyl)ethanamine
CID 81364217
N-benzyl-4-(3-methylphenyl)butan-2-amine
CID 61170329

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenyl)ethyl]-3-phenylbutan-1-amine?
The IUPAC name of N-[2-(3-methylphenyl)ethyl]-3-phenylbutan-1-amine (CID 62313909) is N-[2-(3-methylphenyl)ethyl]-3-phenylbutan-1-amine.
What is the SMILES notation for N-[2-(3-methylphenyl)ethyl]-3-phenylbutan-1-amine?
The canonical SMILES for N-[2-(3-methylphenyl)ethyl]-3-phenylbutan-1-amine is Cc1cccc(CCNCCC(C)c2ccccc2)c1.
What is the InChIKey of N-[2-(3-methylphenyl)ethyl]-3-phenylbutan-1-amine?
The InChIKey is VDNNEUKUKWDBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-16-7-6-8-18(15-16)12-14-20-13-11-17(2)19-9-4-3-5-10-19/h3-10,15,17,20H,11-14H2,1-2H3.
What are the key properties of N-[2-(3-methylphenyl)ethyl]-3-phenylbutan-1-amine?
N-[2-(3-methylphenyl)ethyl]-3-phenylbutan-1-amine has a molecular weight of 267.42 g/mol, XLogP of 4.32, 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]-3-phenylbutan-1-amine is sourced from PubChem (CID 62313909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).