1-(3,5-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine

C18H23NO — CID 78950239

IUPAC1-(3,5-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
SMILESCOc1ccccc1CNC(C)c1cc(C)cc(C)c1
InChIInChI=1S/C18H23NO/c1-13-9-14(2)11-17(10-13)15(3)19-12-16-7-5-6-8-18(16)20-4/h5-11,15,19H,12H2,1-4H3
InChIKeyMJNKMQZFZVDSCU-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.16
Rot. Bonds5

About 1-(3,5-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine

1-(3,5-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine (PubChem CID 78950239) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
PubChem CID78950239
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name1-(3,5-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
SMILESCOc1ccccc1CNC(C)c1cc(C)cc(C)c1
InChIInChI=1S/C18H23NO/c1-13-9-14(2)11-17(10-13)15(3)19-12-16-7-5-6-8-18(16)20-4/h5-11,15,19H,12H2,1-4H3
InChIKeyMJNKMQZFZVDSCU-UHFFFAOYSA-N
XLogP4.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dimethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine
CID 106259657
1-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 43177778
N-[(2-methoxyphenyl)methyl]-1-(4-propylphenyl)ethanamine
CID 43191544
4-[1-[(2-methoxyphenyl)methylamino]ethyl]benzonitrile
CID 43191524
N-[(2-bromophenyl)methyl]-1-(3,5-dimethylphenyl)ethanamine
CID 78950405
1-(4-chloro-3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 82890179
N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 11458027
(1R)-N-[(2-methoxy-5-methylphenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363923
1-(5-chlorothiophen-3-yl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 102976218
5-[(1S)-1-[(2-methoxyphenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 95938822
2-[1-[(2-methoxyphenyl)methylamino]ethyl]benzene-1,3-diol
CID 107710311
(1S)-N-[[2-(difluoromethoxy)phenyl]methyl]-1-(4-methylphenyl)ethanamine
CID 28661741

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine?
The IUPAC name of 1-(3,5-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine (CID 78950239) is 1-(3,5-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine is COc1ccccc1CNC(C)c1cc(C)cc(C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine?
The InChIKey is MJNKMQZFZVDSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-13-9-14(2)11-17(10-13)15(3)19-12-16-7-5-6-8-18(16)20-4/h5-11,15,19H,12H2,1-4H3.
What are the key properties of 1-(3,5-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine?
1-(3,5-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine has a molecular weight of 269.39 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 78950239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).