1-(3,5-dimethoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine

C17H21NO2 — CID 43481801

IUPAC1-(3,5-dimethoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine
SMILESCNC(c1ccc(C)cc1)c1cc(OC)cc(OC)c1
InChIInChI=1S/C17H21NO2/c1-12-5-7-13(8-6-12)17(18-2)14-9-15(19-3)11-16(10-14)20-4/h5-11,17-18H,1-4H3
InChIKeyRPFJZJLLNLMEAS-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.32
Rot. Bonds5

About 1-(3,5-dimethoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine

1-(3,5-dimethoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine (PubChem CID 43481801) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine
PubChem CID43481801
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name1-(3,5-dimethoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine
SMILESCNC(c1ccc(C)cc1)c1cc(OC)cc(OC)c1
InChIInChI=1S/C17H21NO2/c1-12-5-7-13(8-6-12)17(18-2)14-9-15(19-3)11-16(10-14)20-4/h5-11,17-18H,1-4H3
InChIKeyRPFJZJLLNLMEAS-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-(4-bromophenyl)-1-(3,5-dimethoxyphenyl)-N-methylmethanamine
CID 43481084
1-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 43481310
1-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 43481665
1-(3,5-dimethoxyphenyl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 115854902
1-(4-bromo-3-methylphenyl)-1-(3,5-dimethoxyphenyl)-N-methylmethanamine
CID 105013631
1-(4-methoxyphenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 43481682
1-(2-bromo-5-methoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 105092588
1-(3,5-dibromophenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 114022838
1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 81283237
1-(3-fluoro-5-methylphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 79704486
1-(3,5-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
CID 115850471
1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 43486373

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine (CID 43481801) is 1-(3,5-dimethoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine is CNC(c1ccc(C)cc1)c1cc(OC)cc(OC)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine?
The InChIKey is RPFJZJLLNLMEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12-5-7-13(8-6-12)17(18-2)14-9-15(19-3)11-16(10-14)20-4/h5-11,17-18H,1-4H3.
What are the key properties of 1-(3,5-dimethoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine?
1-(3,5-dimethoxyphenyl)-N-methyl-1-(4-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-(3,5-dimethoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine is sourced from PubChem (CID 43481801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).