1-(4-methoxy-3-methylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine

C18H23NO — CID 43487404

IUPAC1-(4-methoxy-3-methylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
SMILESCNC(Cc1ccc(C)cc1)c1ccc(OC)c(C)c1
InChIInChI=1S/C18H23NO/c1-13-5-7-15(8-6-13)12-17(19-3)16-9-10-18(20-4)14(2)11-16/h5-11,17,19H,12H2,1-4H3
InChIKeyGRYCYYZFPUMFAA-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.82
Rot. Bonds5

About 1-(4-methoxy-3-methylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine

1-(4-methoxy-3-methylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine (PubChem CID 43487404) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-(4-methoxy-3-methylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-methoxy-3-methylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
PubChem CID43487404
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name1-(4-methoxy-3-methylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
SMILESCNC(Cc1ccc(C)cc1)c1ccc(OC)c(C)c1
InChIInChI=1S/C18H23NO/c1-13-5-7-15(8-6-13)12-17(19-3)16-9-10-18(20-4)14(2)11-16/h5-11,17,19H,12H2,1-4H3
InChIKeyGRYCYYZFPUMFAA-UHFFFAOYSA-N
XLogP3.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-methyl-1-(4-methylphenyl)ethanamine
CID 3070941
2-(4-chloro-3-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylethanamine
CID 107885051
2-(3-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylethanamine
CID 43487445
2-(4-methoxy-3-methylphenyl)-2-(methylamino)ethanol
CID 62132456
2-(4-bromophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine
CID 61065671
1-(3-bromo-4-methoxyphenyl)-2-(4-bromophenyl)-N-methylethanamine
CID 43479969
1-(4-bromo-3,5-dimethylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 114330447
1-(4-methoxy-3-methylphenyl)-N,5-dimethylhexan-1-amine
CID 83161919
1-(3-bromo-4-methoxyphenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 43479903
2-(3,4-dimethoxyphenyl)-N-methyl-1-(3-methylphenyl)ethanamine
CID 60864252
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 43485624
1-(3,5-dimethylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 61065954

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-methylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine?
The IUPAC name of 1-(4-methoxy-3-methylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine (CID 43487404) is 1-(4-methoxy-3-methylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine.
What is the SMILES notation for 1-(4-methoxy-3-methylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine?
The canonical SMILES for 1-(4-methoxy-3-methylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine is CNC(Cc1ccc(C)cc1)c1ccc(OC)c(C)c1.
What is the InChIKey of 1-(4-methoxy-3-methylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine?
The InChIKey is GRYCYYZFPUMFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-13-5-7-15(8-6-13)12-17(19-3)16-9-10-18(20-4)14(2)11-16/h5-11,17,19H,12H2,1-4H3.
What are the key properties of 1-(4-methoxy-3-methylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine?
1-(4-methoxy-3-methylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine has a molecular weight of 269.39 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-methylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine is sourced from PubChem (CID 43487404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).