1-[4-(3,4-dimethoxyphenyl)-2,6-dimethylphenyl]-N-methylmethanamine

C18H23NO2 — CID 172876699

IUPAC1-[4-(3,4-dimethoxyphenyl)-2,6-dimethylphenyl]-N-methylmethanamine
SMILESCNCc1c(C)cc(-c2ccc(OC)c(OC)c2)cc1C
InChIInChI=1S/C18H23NO2/c1-12-8-15(9-13(2)16(12)11-19-3)14-6-7-17(20-4)18(10-14)21-5/h6-10,19H,11H2,1-5H3
InChIKeyPSOZDCZAKKNCCL-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.71
Rot. Bonds5

About 1-[4-(3,4-dimethoxyphenyl)-2,6-dimethylphenyl]-N-methylmethanamine

1-[4-(3,4-dimethoxyphenyl)-2,6-dimethylphenyl]-N-methylmethanamine (PubChem CID 172876699) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[4-(3,4-dimethoxyphenyl)-2,6-dimethylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(3,4-dimethoxyphenyl)-2,6-dimethylphenyl]-N-methylmethanamine
PubChem CID172876699
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-[4-(3,4-dimethoxyphenyl)-2,6-dimethylphenyl]-N-methylmethanamine
SMILESCNCc1c(C)cc(-c2ccc(OC)c(OC)c2)cc1C
InChIInChI=1S/C18H23NO2/c1-12-8-15(9-13(2)16(12)11-19-3)14-6-7-17(20-4)18(10-14)21-5/h6-10,19H,11H2,1-5H3
InChIKeyPSOZDCZAKKNCCL-UHFFFAOYSA-N
XLogP3.71
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3,4-difluorophenyl)-2,6-dimethylphenyl]-N-methylmethanamine
CID 172876693
1-[3-(4-methoxy-3-methylphenyl)phenyl]-N-methylmethanamine
CID 61034321
1-[4-(4-chlorophenyl)-2,6-dimethylphenyl]-N-methylmethanamine;hydrochloride
CID 172876680
1-[2-(3,4-dimethylphenyl)-4,5-dimethoxyphenyl]-N-methylmethanamine
CID 61032532
1,2-dimethoxy-4-(4-methylphenyl)benzene;ethane
CID 142094347
1-[6-(3,4-dimethoxyphenyl)-2-methyl-3-pyridinyl]-N-methylmethanamine
CID 82453268
methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155
ethyl 4-(3,4-dimethoxyphenyl)-2,6-dimethylbenzoate
CID 14570140
1-[2-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-N-methylmethanamine
CID 62748617
1-[2,6-dimethyl-4-(3-propan-2-ylphenyl)phenyl]-N-methylmethanamine
CID 172876657
1-[5-(4-methoxy-3-methylphenyl)-2-methyl-1H-pyrrol-3-yl]-N-methylmethanamine
CID 116828251
5-[3-methoxy-4-(methylaminomethyl)phenyl]-1,3-dimethylpyridin-2-one
CID 134258720

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dimethoxyphenyl)-2,6-dimethylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(3,4-dimethoxyphenyl)-2,6-dimethylphenyl]-N-methylmethanamine (CID 172876699) is 1-[4-(3,4-dimethoxyphenyl)-2,6-dimethylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(3,4-dimethoxyphenyl)-2,6-dimethylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(3,4-dimethoxyphenyl)-2,6-dimethylphenyl]-N-methylmethanamine is CNCc1c(C)cc(-c2ccc(OC)c(OC)c2)cc1C.
What is the InChIKey of 1-[4-(3,4-dimethoxyphenyl)-2,6-dimethylphenyl]-N-methylmethanamine?
The InChIKey is PSOZDCZAKKNCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-12-8-15(9-13(2)16(12)11-19-3)14-6-7-17(20-4)18(10-14)21-5/h6-10,19H,11H2,1-5H3.
What are the key properties of 1-[4-(3,4-dimethoxyphenyl)-2,6-dimethylphenyl]-N-methylmethanamine?
1-[4-(3,4-dimethoxyphenyl)-2,6-dimethylphenyl]-N-methylmethanamine has a molecular weight of 285.39 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dimethoxyphenyl)-2,6-dimethylphenyl]-N-methylmethanamine is sourced from PubChem (CID 172876699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).