1-(2,4-dimethoxyphenyl)-N-[(2,6-dimethylphenyl)methyl]methanamine

C18H23NO2 — CID 81318862

IUPAC1-(2,4-dimethoxyphenyl)-N-[(2,6-dimethylphenyl)methyl]methanamine
SMILESCOc1ccc(CNCc2c(C)cccc2C)c(OC)c1
InChIInChI=1S/C18H23NO2/c1-13-6-5-7-14(2)17(13)12-19-11-15-8-9-16(20-3)10-18(15)21-4/h5-10,19H,11-12H2,1-4H3
InChIKeyLKRLKPYMZDUQAD-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.61
Rot. Bonds6

About 1-(2,4-dimethoxyphenyl)-N-[(2,6-dimethylphenyl)methyl]methanamine

1-(2,4-dimethoxyphenyl)-N-[(2,6-dimethylphenyl)methyl]methanamine (PubChem CID 81318862) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-N-[(2,6-dimethylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-N-[(2,6-dimethylphenyl)methyl]methanamine
PubChem CID81318862
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-(2,4-dimethoxyphenyl)-N-[(2,6-dimethylphenyl)methyl]methanamine
SMILESCOc1ccc(CNCc2c(C)cccc2C)c(OC)c1
InChIInChI=1S/C18H23NO2/c1-13-6-5-7-14(2)17(13)12-19-11-15-8-9-16(20-3)10-18(15)21-4/h5-10,19H,11-12H2,1-4H3
InChIKeyLKRLKPYMZDUQAD-UHFFFAOYSA-N
XLogP3.61
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 39370180
N-[(2,6-dichlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine
CID 60961220
N-[(2,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 738572
N-[(2,4-dimethoxyphenyl)methyl]-1-(3-methoxy-4-methylphenyl)methanamine
CID 122598505
2-[[(2,4-dimethoxyphenyl)methylamino]methyl]phenol
CID 62732592
1-(2,4-dimethoxyphenyl)-N-[(5-fluoro-2-methylphenyl)methyl]methanamine
CID 115967968
N-[(2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine
CID 4719073
N-[(2,4-dimethoxyphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 119126928
1-(2,4-dimethoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 60962263
1-(2,4-dimethoxyphenyl)-N-[(3,5-dimethoxyphenyl)methyl]methanamine;hydrochloride
CID 47020695
N-[(2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine;hydrochloride
CID 17293463
2-[(2,4-dimethoxyphenyl)methylamino]ethanethiol
CID 115223928

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-N-[(2,6-dimethylphenyl)methyl]methanamine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-N-[(2,6-dimethylphenyl)methyl]methanamine (CID 81318862) is 1-(2,4-dimethoxyphenyl)-N-[(2,6-dimethylphenyl)methyl]methanamine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-N-[(2,6-dimethylphenyl)methyl]methanamine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-N-[(2,6-dimethylphenyl)methyl]methanamine is COc1ccc(CNCc2c(C)cccc2C)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-N-[(2,6-dimethylphenyl)methyl]methanamine?
The InChIKey is LKRLKPYMZDUQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-13-6-5-7-14(2)17(13)12-19-11-15-8-9-16(20-3)10-18(15)21-4/h5-10,19H,11-12H2,1-4H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-N-[(2,6-dimethylphenyl)methyl]methanamine?
1-(2,4-dimethoxyphenyl)-N-[(2,6-dimethylphenyl)methyl]methanamine has a molecular weight of 285.39 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-N-[(2,6-dimethylphenyl)methyl]methanamine is sourced from PubChem (CID 81318862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).