N-[1-(4-methylphenyl)ethyl]-4-phenylbutan-1-amine

C19H25N — CID 114333277

IUPACN-[1-(4-methylphenyl)ethyl]-4-phenylbutan-1-amine
SMILESCc1ccc(C(C)NCCCCc2ccccc2)cc1
InChIInChI=1S/C19H25N/c1-16-11-13-19(14-12-16)17(2)20-15-7-6-10-18-8-4-3-5-9-18/h3-5,8-9,11-14,17,20H,6-7,10,15H2,1-2H3
InChIKeySNJDPGCAEQFVGP-UHFFFAOYSA-N
MW267.42 g/mol
LogP4.67
Rot. Bonds7

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

N-[1-(4-methylphenyl)ethyl]-4-phenylbutan-1-amine (PubChem CID 114333277) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)ethyl]-4-phenylbutan-1-amine.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)ethyl]-4-phenylbutan-1-amine
PubChem CID114333277
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC NameN-[1-(4-methylphenyl)ethyl]-4-phenylbutan-1-amine
SMILESCc1ccc(C(C)NCCCCc2ccccc2)cc1
InChIInChI=1S/C19H25N/c1-16-11-13-19(14-12-16)17(2)20-15-7-6-10-18-8-4-3-5-9-18/h3-5,8-9,11-14,17,20H,6-7,10,15H2,1-2H3
InChIKeySNJDPGCAEQFVGP-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

Computed Properties (RDKit)

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

Analyze N-[1-(4-methylphenyl)ethyl]-4-phenylbutan-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

N-[(1S)-1-(3-methylphenyl)ethyl]-4-phenylbutan-1-amine
CID 104893840
3-phenyl-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 28646793
N-[(1S)-1-(3-methylphenyl)ethyl]-3-phenylpropan-1-amine
CID 81363177
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylpropan-1-amine
CID 29042009
4-phenyl-N-[(1S)-1-pyridin-3-ylethyl]butan-1-amine
CID 104893867
N-[1-(3,5-diethoxyphenyl)ethyl]-4-phenylbutan-1-amine
CID 155595556
N,N'-bis[(1R)-1-phenylethyl]heptane-1,7-diamine
CID 101387383
N-[1-(4-methylphenyl)ethyl]octan-1-amine
CID 5158361
N-[1-(4-methylphenyl)ethyl]nonan-1-amine
CID 63491901
5-methyl-N-[1-(4-methylphenyl)ethyl]hexan-1-amine
CID 115325063
4-[[(1S)-1-(4-methylphenyl)ethyl]amino]butan-1-ol
CID 81356672
4-[[(1R)-1-(4-methylphenyl)ethyl]amino]butan-1-ol
CID 81356259

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)ethyl]-4-phenylbutan-1-amine?
The IUPAC name of N-[1-(4-methylphenyl)ethyl]-4-phenylbutan-1-amine (CID 114333277) is N-[1-(4-methylphenyl)ethyl]-4-phenylbutan-1-amine.
What is the SMILES notation for N-[1-(4-methylphenyl)ethyl]-4-phenylbutan-1-amine?
The canonical SMILES for N-[1-(4-methylphenyl)ethyl]-4-phenylbutan-1-amine is Cc1ccc(C(C)NCCCCc2ccccc2)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)ethyl]-4-phenylbutan-1-amine?
The InChIKey is SNJDPGCAEQFVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-16-11-13-19(14-12-16)17(2)20-15-7-6-10-18-8-4-3-5-9-18/h3-5,8-9,11-14,17,20H,6-7,10,15H2,1-2H3.
What are the key properties of N-[1-(4-methylphenyl)ethyl]-4-phenylbutan-1-amine?
N-[1-(4-methylphenyl)ethyl]-4-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-[1-(4-methylphenyl)ethyl]-4-phenylbutan-1-amine is sourced from PubChem (CID 114333277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).