3-(3,5-dimethylphenyl)-N-methyl-2-phenylpropan-1-amine

C18H23N — CID 65430220

IUPAC3-(3,5-dimethylphenyl)-N-methyl-2-phenylpropan-1-amine
SMILESCNCC(Cc1cc(C)cc(C)c1)c1ccccc1
InChIInChI=1S/C18H23N/c1-14-9-15(2)11-16(10-14)12-18(13-19-3)17-7-5-4-6-8-17/h4-11,18-19H,12-13H2,1-3H3
InChIKeyYXHQOMMNMGSGLI-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.85
Rot. Bonds5

About 3-(3,5-dimethylphenyl)-N-methyl-2-phenylpropan-1-amine

3-(3,5-dimethylphenyl)-N-methyl-2-phenylpropan-1-amine (PubChem CID 65430220) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-(3,5-dimethylphenyl)-N-methyl-2-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(3,5-dimethylphenyl)-N-methyl-2-phenylpropan-1-amine
PubChem CID65430220
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name3-(3,5-dimethylphenyl)-N-methyl-2-phenylpropan-1-amine
SMILESCNCC(Cc1cc(C)cc(C)c1)c1ccccc1
InChIInChI=1S/C18H23N/c1-14-9-15(2)11-16(10-14)12-18(13-19-3)17-7-5-4-6-8-17/h4-11,18-19H,12-13H2,1-3H3
InChIKeyYXHQOMMNMGSGLI-UHFFFAOYSA-N
XLogP3.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-fluoro-4,6-dimethylphenyl)-N-methyl-2-phenylpropan-1-amine
CID 106882896
N-methyl-2,3-bis(4-methylphenyl)propan-1-amine
CID 79437244
2-(4-fluorophenyl)-N-methyl-3-phenylpropan-1-amine
CID 79441486
2-(4-chlorophenyl)-N-methyl-3-phenylpropan-1-amine
CID 79441799
2-(3-chlorophenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 79442808
3-(4-fluorophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
CID 79417911
(2S)-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine
CID 68735781
2-[(3,5-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine
CID 62529340
3-(3-bromophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
CID 79417287
(2S)-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine;hydrochloride
CID 68735780
3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-phenylpropan-1-amine
CID 104545252
2-(2-chlorophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-1-amine
CID 79436038

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenyl)-N-methyl-2-phenylpropan-1-amine?
The IUPAC name of 3-(3,5-dimethylphenyl)-N-methyl-2-phenylpropan-1-amine (CID 65430220) is 3-(3,5-dimethylphenyl)-N-methyl-2-phenylpropan-1-amine.
What is the SMILES notation for 3-(3,5-dimethylphenyl)-N-methyl-2-phenylpropan-1-amine?
The canonical SMILES for 3-(3,5-dimethylphenyl)-N-methyl-2-phenylpropan-1-amine is CNCC(Cc1cc(C)cc(C)c1)c1ccccc1.
What is the InChIKey of 3-(3,5-dimethylphenyl)-N-methyl-2-phenylpropan-1-amine?
The InChIKey is YXHQOMMNMGSGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-14-9-15(2)11-16(10-14)12-18(13-19-3)17-7-5-4-6-8-17/h4-11,18-19H,12-13H2,1-3H3.
What are the key properties of 3-(3,5-dimethylphenyl)-N-methyl-2-phenylpropan-1-amine?
3-(3,5-dimethylphenyl)-N-methyl-2-phenylpropan-1-amine has a molecular weight of 253.39 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenyl)-N-methyl-2-phenylpropan-1-amine is sourced from PubChem (CID 65430220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).