1-(2,3-dimethoxyphenyl)-N-methyl-1-(3-methylphenyl)methanamine

C17H21NO2 — CID 105090742

IUPAC1-(2,3-dimethoxyphenyl)-N-methyl-1-(3-methylphenyl)methanamine
SMILESCNC(c1cccc(C)c1)c1cccc(OC)c1OC
InChIInChI=1S/C17H21NO2/c1-12-7-5-8-13(11-12)16(18-2)14-9-6-10-15(19-3)17(14)20-4/h5-11,16,18H,1-4H3
InChIKeyQTJJFUWPDUBBHM-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.32
Rot. Bonds5

About 1-(2,3-dimethoxyphenyl)-N-methyl-1-(3-methylphenyl)methanamine

1-(2,3-dimethoxyphenyl)-N-methyl-1-(3-methylphenyl)methanamine (PubChem CID 105090742) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(2,3-dimethoxyphenyl)-N-methyl-1-(3-methylphenyl)methanamine.

Molecular Properties

Compound Name1-(2,3-dimethoxyphenyl)-N-methyl-1-(3-methylphenyl)methanamine
PubChem CID105090742
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name1-(2,3-dimethoxyphenyl)-N-methyl-1-(3-methylphenyl)methanamine
SMILESCNC(c1cccc(C)c1)c1cccc(OC)c1OC
InChIInChI=1S/C17H21NO2/c1-12-7-5-8-13(11-12)16(18-2)14-9-6-10-15(19-3)17(14)20-4/h5-11,16,18H,1-4H3
InChIKeyQTJJFUWPDUBBHM-UHFFFAOYSA-N
XLogP3.32
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-difluorophenyl)-1-(2,3-dimethoxyphenyl)-N-methylmethanamine
CID 105145620
1-(5-bromo-2-methoxy-4-methylphenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 65438567
N-methyl-1-(3-methylphenyl)-1-quinolin-5-ylmethanamine
CID 81220394
1-(4-methoxyphenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 43481682
1-(2,3-dimethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 105166530
1-(3,4-dimethylphenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 43480217
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 82807584
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 105174859
1-(3-bromophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 82807700
1-(2-fluoro-3-methoxyphenyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 82792923
1-(2-methoxyphenyl)-N-methyl-1-(3-propylphenyl)methanamine
CID 116543823
1-(2,4-dimethylphenyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 43482690

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxyphenyl)-N-methyl-1-(3-methylphenyl)methanamine?
The IUPAC name of 1-(2,3-dimethoxyphenyl)-N-methyl-1-(3-methylphenyl)methanamine (CID 105090742) is 1-(2,3-dimethoxyphenyl)-N-methyl-1-(3-methylphenyl)methanamine.
What is the SMILES notation for 1-(2,3-dimethoxyphenyl)-N-methyl-1-(3-methylphenyl)methanamine?
The canonical SMILES for 1-(2,3-dimethoxyphenyl)-N-methyl-1-(3-methylphenyl)methanamine is CNC(c1cccc(C)c1)c1cccc(OC)c1OC.
What is the InChIKey of 1-(2,3-dimethoxyphenyl)-N-methyl-1-(3-methylphenyl)methanamine?
The InChIKey is QTJJFUWPDUBBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12-7-5-8-13(11-12)16(18-2)14-9-6-10-15(19-3)17(14)20-4/h5-11,16,18H,1-4H3.
What are the key properties of 1-(2,3-dimethoxyphenyl)-N-methyl-1-(3-methylphenyl)methanamine?
1-(2,3-dimethoxyphenyl)-N-methyl-1-(3-methylphenyl)methanamine has a molecular weight of 271.36 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethoxyphenyl)-N-methyl-1-(3-methylphenyl)methanamine is sourced from PubChem (CID 105090742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).