1-(2,5-dimethylphenyl)-N-methyl-4-phenylbutan-1-amine

C19H25N — CID 115849503

IUPAC1-(2,5-dimethylphenyl)-N-methyl-4-phenylbutan-1-amine
SMILESCNC(CCCc1ccccc1)c1cc(C)ccc1C
InChIInChI=1S/C19H25N/c1-15-12-13-16(2)18(14-15)19(20-3)11-7-10-17-8-5-4-6-9-17/h4-6,8-9,12-14,19-20H,7,10-11H2,1-3H3
InChIKeyUPJKHLJEHJADAW-UHFFFAOYSA-N
MW267.42 g/mol
LogP4.59
Rot. Bonds6

About 1-(2,5-dimethylphenyl)-N-methyl-4-phenylbutan-1-amine

1-(2,5-dimethylphenyl)-N-methyl-4-phenylbutan-1-amine (PubChem CID 115849503) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N-methyl-4-phenylbutan-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N-methyl-4-phenylbutan-1-amine
PubChem CID115849503
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC Name1-(2,5-dimethylphenyl)-N-methyl-4-phenylbutan-1-amine
SMILESCNC(CCCc1ccccc1)c1cc(C)ccc1C
InChIInChI=1S/C19H25N/c1-15-12-13-16(2)18(14-15)19(20-3)11-7-10-17-8-5-4-6-9-17/h4-6,8-9,12-14,19-20H,7,10-11H2,1-3H3
InChIKeyUPJKHLJEHJADAW-UHFFFAOYSA-N
XLogP4.59
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 ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-dimethylphenyl)-N-methyl-3-(4-methylphenyl)propan-1-amine
CID 105120019
1-(2,5-dimethylphenyl)-N-methylpentan-1-amine
CID 43483753
1-(2,4-difluoro-5-methylphenyl)-N-methyl-4-phenylbutan-1-amine
CID 115849318
1-(2,5-dimethylphenyl)-N-ethyl-3-phenylpropan-1-amine
CID 43490830
5-(2,5-dimethylphenyl)-5-(methylamino)pentanoic acid
CID 116953082
N-[1-(2,5-dimethylphenyl)ethyl]-3-phenylpropan-1-amine
CID 43081126
3-(2,5-dimethylphenyl)-3-(methylamino)propan-1-ol
CID 64812187
1-(2,5-dimethylphenyl)-N-methylpropan-1-amine
CID 43483756
1-(2,5-dimethylphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 105120431
N-methyl-1-(2-methylsulfanylphenyl)-4-phenylbutan-1-amine
CID 115849651
1-(2,5-dimethylphenyl)-3-(furan-2-yl)-N-methylpropan-1-amine
CID 105120302
1-(3-bromo-2-methylphenyl)-N-methyl-4-phenylbutan-1-amine
CID 115849363

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N-methyl-4-phenylbutan-1-amine?
The IUPAC name of 1-(2,5-dimethylphenyl)-N-methyl-4-phenylbutan-1-amine (CID 115849503) is 1-(2,5-dimethylphenyl)-N-methyl-4-phenylbutan-1-amine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N-methyl-4-phenylbutan-1-amine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N-methyl-4-phenylbutan-1-amine is CNC(CCCc1ccccc1)c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N-methyl-4-phenylbutan-1-amine?
The InChIKey is UPJKHLJEHJADAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-15-12-13-16(2)18(14-15)19(20-3)11-7-10-17-8-5-4-6-9-17/h4-6,8-9,12-14,19-20H,7,10-11H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-N-methyl-4-phenylbutan-1-amine?
1-(2,5-dimethylphenyl)-N-methyl-4-phenylbutan-1-amine has a molecular weight of 267.42 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-N-methyl-4-phenylbutan-1-amine is sourced from PubChem (CID 115849503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).