3-(3,4-dimethylphenyl)-1-phenyl-N-propylpropan-1-amine

C20H27N — CID 63400239

IUPAC3-(3,4-dimethylphenyl)-1-phenyl-N-propylpropan-1-amine
SMILESCCCNC(CCc1ccc(C)c(C)c1)c1ccccc1
InChIInChI=1S/C20H27N/c1-4-14-21-20(19-8-6-5-7-9-19)13-12-18-11-10-16(2)17(3)15-18/h5-11,15,20-21H,4,12-14H2,1-3H3
InChIKeyZYYDXQGXWAIUFO-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.98
Rot. Bonds7

About 3-(3,4-dimethylphenyl)-1-phenyl-N-propylpropan-1-amine

3-(3,4-dimethylphenyl)-1-phenyl-N-propylpropan-1-amine (PubChem CID 63400239) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-1-phenyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-1-phenyl-N-propylpropan-1-amine
PubChem CID63400239
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name3-(3,4-dimethylphenyl)-1-phenyl-N-propylpropan-1-amine
SMILESCCCNC(CCc1ccc(C)c(C)c1)c1ccccc1
InChIInChI=1S/C20H27N/c1-4-14-21-20(19-8-6-5-7-9-19)13-12-18-11-10-16(2)17(3)15-18/h5-11,15,20-21H,4,12-14H2,1-3H3
InChIKeyZYYDXQGXWAIUFO-UHFFFAOYSA-N
XLogP4.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3,4-difluorophenyl)-1-phenyl-N-propylpropan-1-amine
CID 64501624
N-ethyl-3-(3-fluoro-4-methylphenyl)-1-phenylpropan-1-amine
CID 107129437
N-[2-(3-methylphenyl)ethyl]-1-phenylbutan-1-amine
CID 63477461
4-(4-chlorophenyl)-1-phenyl-N-propylbutan-1-amine
CID 64502036
N-[2-(4-methylphenyl)-1-phenylethyl]propan-1-amine
CID 43494855
1-(4-chlorophenyl)-3-(2-methylphenyl)-N-propylpropan-1-amine
CID 105076565
N-[(1S)-1,2-diphenylethyl]propan-1-amine
CID 36689865
1-phenyl-N-propyl-3-pyridin-2-ylpropan-1-amine
CID 105083650
1-(5-bromothiophen-3-yl)-3-phenyl-N-propylpropan-1-amine
CID 105094339
1-(4-fluoro-2-methylphenyl)-3-phenyl-N-propylpropan-1-amine
CID 63417221
1-(3,4-dimethylphenyl)-4-methyl-N-propylpentan-1-amine
CID 43493981
N-[2-(3,4-dimethylphenyl)-1-(2-iodophenyl)ethyl]propan-1-amine
CID 63527278

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-1-phenyl-N-propylpropan-1-amine?
The IUPAC name of 3-(3,4-dimethylphenyl)-1-phenyl-N-propylpropan-1-amine (CID 63400239) is 3-(3,4-dimethylphenyl)-1-phenyl-N-propylpropan-1-amine.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-1-phenyl-N-propylpropan-1-amine?
The canonical SMILES for 3-(3,4-dimethylphenyl)-1-phenyl-N-propylpropan-1-amine is CCCNC(CCc1ccc(C)c(C)c1)c1ccccc1.
What is the InChIKey of 3-(3,4-dimethylphenyl)-1-phenyl-N-propylpropan-1-amine?
The InChIKey is ZYYDXQGXWAIUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-4-14-21-20(19-8-6-5-7-9-19)13-12-18-11-10-16(2)17(3)15-18/h5-11,15,20-21H,4,12-14H2,1-3H3.
What are the key properties of 3-(3,4-dimethylphenyl)-1-phenyl-N-propylpropan-1-amine?
3-(3,4-dimethylphenyl)-1-phenyl-N-propylpropan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-1-phenyl-N-propylpropan-1-amine is sourced from PubChem (CID 63400239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).