1-(4,5-dimethoxy-2-methylphenyl)-N-methyl-1-(2-methylphenyl)methanamine

C18H23NO2 — CID 43626718

IUPAC1-(4,5-dimethoxy-2-methylphenyl)-N-methyl-1-(2-methylphenyl)methanamine
SMILESCNC(c1ccccc1C)c1cc(OC)c(OC)cc1C
InChIInChI=1S/C18H23NO2/c1-12-8-6-7-9-14(12)18(19-3)15-11-17(21-5)16(20-4)10-13(15)2/h6-11,18-19H,1-5H3
InChIKeyNRJHSBXMEAQKJF-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.63
Rot. Bonds5

About 1-(4,5-dimethoxy-2-methylphenyl)-N-methyl-1-(2-methylphenyl)methanamine

1-(4,5-dimethoxy-2-methylphenyl)-N-methyl-1-(2-methylphenyl)methanamine (PubChem CID 43626718) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(4,5-dimethoxy-2-methylphenyl)-N-methyl-1-(2-methylphenyl)methanamine.

Molecular Properties

Compound Name1-(4,5-dimethoxy-2-methylphenyl)-N-methyl-1-(2-methylphenyl)methanamine
PubChem CID43626718
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-(4,5-dimethoxy-2-methylphenyl)-N-methyl-1-(2-methylphenyl)methanamine
SMILESCNC(c1ccccc1C)c1cc(OC)c(OC)cc1C
InChIInChI=1S/C18H23NO2/c1-12-8-6-7-9-14(12)18(19-3)15-11-17(21-5)16(20-4)10-13(15)2/h6-11,18-19H,1-5H3
InChIKeyNRJHSBXMEAQKJF-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-4-methylphenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 106792109
1-(2,4-dimethylphenyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 43482690
1-(2-iodophenyl)-1-(4-methoxy-2,5-dimethylphenyl)-N-methylmethanamine
CID 105032769
1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine
CID 105032973
1-(4,5-dimethoxy-2-methylphenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43626732
1-(5-bromo-4-fluoro-2-methoxyphenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 103394619
1-(3-chloro-4-methoxyphenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 43480974
1-(3-chlorophenyl)-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine
CID 43626747
1-(3-methoxythiophen-2-yl)-N-methyl-1-(2-methylphenyl)methanamine
CID 115794755
1-(2-methoxy-3-pyridinyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 105094747
1-(2-fluoro-3-methoxyphenyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 82808536
1-(2-fluoro-3-methoxyphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 105024978

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethoxy-2-methylphenyl)-N-methyl-1-(2-methylphenyl)methanamine?
The IUPAC name of 1-(4,5-dimethoxy-2-methylphenyl)-N-methyl-1-(2-methylphenyl)methanamine (CID 43626718) is 1-(4,5-dimethoxy-2-methylphenyl)-N-methyl-1-(2-methylphenyl)methanamine.
What is the SMILES notation for 1-(4,5-dimethoxy-2-methylphenyl)-N-methyl-1-(2-methylphenyl)methanamine?
The canonical SMILES for 1-(4,5-dimethoxy-2-methylphenyl)-N-methyl-1-(2-methylphenyl)methanamine is CNC(c1ccccc1C)c1cc(OC)c(OC)cc1C.
What is the InChIKey of 1-(4,5-dimethoxy-2-methylphenyl)-N-methyl-1-(2-methylphenyl)methanamine?
The InChIKey is NRJHSBXMEAQKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-12-8-6-7-9-14(12)18(19-3)15-11-17(21-5)16(20-4)10-13(15)2/h6-11,18-19H,1-5H3.
What are the key properties of 1-(4,5-dimethoxy-2-methylphenyl)-N-methyl-1-(2-methylphenyl)methanamine?
1-(4,5-dimethoxy-2-methylphenyl)-N-methyl-1-(2-methylphenyl)methanamine has a molecular weight of 285.39 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethoxy-2-methylphenyl)-N-methyl-1-(2-methylphenyl)methanamine is sourced from PubChem (CID 43626718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).