N-ethyl-1-(3-methylphenyl)-4-phenylbutan-1-amine

C19H25N — CID 63413344

IUPACN-ethyl-1-(3-methylphenyl)-4-phenylbutan-1-amine
SMILESCCNC(CCCc1ccccc1)c1cccc(C)c1
InChIInChI=1S/C19H25N/c1-3-20-19(18-13-7-9-16(2)15-18)14-8-12-17-10-5-4-6-11-17/h4-7,9-11,13,15,19-20H,3,8,12,14H2,1-2H3
InChIKeyJFTQMSRZPLHXRG-UHFFFAOYSA-N
MW267.42 g/mol
LogP4.67
Rot. Bonds7

About N-ethyl-1-(3-methylphenyl)-4-phenylbutan-1-amine

N-ethyl-1-(3-methylphenyl)-4-phenylbutan-1-amine (PubChem CID 63413344) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is N-ethyl-1-(3-methylphenyl)-4-phenylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-methylphenyl)-4-phenylbutan-1-amine
PubChem CID63413344
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC NameN-ethyl-1-(3-methylphenyl)-4-phenylbutan-1-amine
SMILESCCNC(CCCc1ccccc1)c1cccc(C)c1
InChIInChI=1S/C19H25N/c1-3-20-19(18-13-7-9-16(2)15-18)14-8-12-17-10-5-4-6-11-17/h4-7,9-11,13,15,19-20H,3,8,12,14H2,1-2H3
InChIKeyJFTQMSRZPLHXRG-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

N-ethyl-1-(4-methylphenyl)-4-phenylbutan-1-amine
CID 63411938
N-ethyl-1-(3-methylphenyl)butan-1-amine
CID 60818713
3-(ethylamino)-3-(3-methylphenyl)propan-1-ol
CID 64812392
1-(2-chloro-4-methylphenyl)-N-ethyl-4-phenylbutan-1-amine
CID 106857406
N-methyl-1-(3-methylphenyl)-3-phenylpropan-1-amine
CID 60818529
1-(3-bromophenyl)-N-ethyl-3-phenylpropan-1-amine
CID 54919438
4-(2,6-difluorophenyl)-N-ethyl-1-phenylbutan-1-amine
CID 114934436
N-[(1S)-1-(3-methylphenyl)ethyl]-3-phenylpropan-1-amine
CID 81363177
N-ethyl-1-(3-methylphenyl)-2-phenylsulfanylethanamine
CID 64619202
N-[(1S)-1-(3-methylphenyl)ethyl]-4-phenylbutan-1-amine
CID 104893840
N-[2-(3-methylphenyl)ethyl]-1-phenylbutan-1-amine
CID 63477461
N-ethyl-4-phenyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine
CID 115849308

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methylphenyl)-4-phenylbutan-1-amine?
The IUPAC name of N-ethyl-1-(3-methylphenyl)-4-phenylbutan-1-amine (CID 63413344) is N-ethyl-1-(3-methylphenyl)-4-phenylbutan-1-amine.
What is the SMILES notation for N-ethyl-1-(3-methylphenyl)-4-phenylbutan-1-amine?
The canonical SMILES for N-ethyl-1-(3-methylphenyl)-4-phenylbutan-1-amine is CCNC(CCCc1ccccc1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-1-(3-methylphenyl)-4-phenylbutan-1-amine?
The InChIKey is JFTQMSRZPLHXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-3-20-19(18-13-7-9-16(2)15-18)14-8-12-17-10-5-4-6-11-17/h4-7,9-11,13,15,19-20H,3,8,12,14H2,1-2H3.
What are the key properties of N-ethyl-1-(3-methylphenyl)-4-phenylbutan-1-amine?
N-ethyl-1-(3-methylphenyl)-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-ethyl-1-(3-methylphenyl)-4-phenylbutan-1-amine is sourced from PubChem (CID 63413344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).