1-[3-(3,4-dimethylphenyl)phenyl]-N-methylpropan-1-amine

C18H23N — CID 63424535

IUPAC1-[3-(3,4-dimethylphenyl)phenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1cccc(-c2ccc(C)c(C)c2)c1
InChIInChI=1S/C18H23N/c1-5-18(19-4)17-8-6-7-15(12-17)16-10-9-13(2)14(3)11-16/h6-12,18-19H,5H2,1-4H3
InChIKeyLYLAXNWDFUZWDP-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.64
Rot. Bonds4

About 1-[3-(3,4-dimethylphenyl)phenyl]-N-methylpropan-1-amine

1-[3-(3,4-dimethylphenyl)phenyl]-N-methylpropan-1-amine (PubChem CID 63424535) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-[3-(3,4-dimethylphenyl)phenyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[3-(3,4-dimethylphenyl)phenyl]-N-methylpropan-1-amine
PubChem CID63424535
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name1-[3-(3,4-dimethylphenyl)phenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1cccc(-c2ccc(C)c(C)c2)c1
InChIInChI=1S/C18H23N/c1-5-18(19-4)17-8-6-7-15(12-17)16-10-9-13(2)14(3)11-16/h6-12,18-19H,5H2,1-4H3
InChIKeyLYLAXNWDFUZWDP-UHFFFAOYSA-N
XLogP4.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-1-(3-phenylphenyl)propan-1-amine
CID 54912079
N-methyl-1-[3-(2,4,5-trimethylphenyl)phenyl]propan-1-amine
CID 64984941
1-[3-(3-fluoro-4-methoxyphenyl)phenyl]-N-methylpropan-1-amine
CID 61033554
N-methyl-1-(3-pyridin-3-ylphenyl)propan-1-amine
CID 54911968
3-[3-[1-(methylamino)propyl]phenyl]benzonitrile
CID 54911796
N-methyl-1-[3-(4-methyl-3-pyridinyl)phenyl]propan-1-amine
CID 66271239
1-[3-(2-methoxy-4,6-dimethylphenyl)phenyl]-N-methylpropan-1-amine
CID 106681161
N-methyl-1-[3-(2-methylthiophen-3-yl)phenyl]propan-1-amine
CID 102834501
1-[4-(4-fluoro-3-methylphenyl)phenyl]-N-methylpropan-1-amine
CID 54912003
1-[4-(3-chlorophenyl)phenyl]-N-methylpropan-1-amine
CID 61227636
N-methyl-3-[1-(methylamino)propyl]aniline
CID 116951935
(1R)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 93312415

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-dimethylphenyl)phenyl]-N-methylpropan-1-amine?
The IUPAC name of 1-[3-(3,4-dimethylphenyl)phenyl]-N-methylpropan-1-amine (CID 63424535) is 1-[3-(3,4-dimethylphenyl)phenyl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[3-(3,4-dimethylphenyl)phenyl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[3-(3,4-dimethylphenyl)phenyl]-N-methylpropan-1-amine is CCC(NC)c1cccc(-c2ccc(C)c(C)c2)c1.
What is the InChIKey of 1-[3-(3,4-dimethylphenyl)phenyl]-N-methylpropan-1-amine?
The InChIKey is LYLAXNWDFUZWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-5-18(19-4)17-8-6-7-15(12-17)16-10-9-13(2)14(3)11-16/h6-12,18-19H,5H2,1-4H3.
What are the key properties of 1-[3-(3,4-dimethylphenyl)phenyl]-N-methylpropan-1-amine?
1-[3-(3,4-dimethylphenyl)phenyl]-N-methylpropan-1-amine has a molecular weight of 253.39 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4-dimethylphenyl)phenyl]-N-methylpropan-1-amine is sourced from PubChem (CID 63424535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).