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

C18H23NO2 — CID 81318644

IUPAC1-(3,4-dimethoxyphenyl)-N-[(2,6-dimethylphenyl)methyl]methanamine
SMILESCOc1ccc(CNCc2c(C)cccc2C)cc1OC
InChIInChI=1S/C18H23NO2/c1-13-6-5-7-14(2)16(13)12-19-11-15-8-9-17(20-3)18(10-15)21-4/h5-10,19H,11-12H2,1-4H3
InChIKeySHOOSPILIPQKND-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.61
Rot. Bonds6

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

1-(3,4-dimethoxyphenyl)-N-[(2,6-dimethylphenyl)methyl]methanamine (PubChem CID 81318644) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-[(2,6-dimethylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-[(2,6-dimethylphenyl)methyl]methanamine
PubChem CID81318644
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-(3,4-dimethoxyphenyl)-N-[(2,6-dimethylphenyl)methyl]methanamine
SMILESCOc1ccc(CNCc2c(C)cccc2C)cc1OC
InChIInChI=1S/C18H23NO2/c1-13-6-5-7-14(2)16(13)12-19-11-15-8-9-17(20-3)18(10-15)21-4/h5-10,19H,11-12H2,1-4H3
InChIKeySHOOSPILIPQKND-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

Analyze 1-(3,4-dimethoxyphenyl)-N-[(2,6-dimethylphenyl)methyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 737219
2-[2-methoxy-4-[[(2,4,6-trimethylphenyl)methylamino]methyl]phenoxy]ethanol
CID 110897097
1-(3,4-dimethoxyphenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine
CID 115651246
CID 11303039
CID 11303039
1-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]methanamine
CID 30611503
1-(4-ethoxy-3-methoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 28664197
1-(3,4-dimethoxyphenyl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine
CID 119113161
1-(2,4-dimethoxyphenyl)-N-[(2,6-dimethylphenyl)methyl]methanamine
CID 81318862
N-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-3-methylaniline;molecular hydrogen
CID 164870346
N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1-(4-methoxyphenyl)methanamine
CID 4724176
1-(3-ethoxy-4-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 63305644
N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 4719506

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-[(2,6-dimethylphenyl)methyl]methanamine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-[(2,6-dimethylphenyl)methyl]methanamine (CID 81318644) is 1-(3,4-dimethoxyphenyl)-N-[(2,6-dimethylphenyl)methyl]methanamine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-[(2,6-dimethylphenyl)methyl]methanamine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-[(2,6-dimethylphenyl)methyl]methanamine is COc1ccc(CNCc2c(C)cccc2C)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-[(2,6-dimethylphenyl)methyl]methanamine?
The InChIKey is SHOOSPILIPQKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-13-6-5-7-14(2)16(13)12-19-11-15-8-9-17(20-3)18(10-15)21-4/h5-10,19H,11-12H2,1-4H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-[(2,6-dimethylphenyl)methyl]methanamine?
1-(3,4-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-(3,4-dimethoxyphenyl)-N-[(2,6-dimethylphenyl)methyl]methanamine is sourced from PubChem (CID 81318644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).