1-(2-methoxy-5-methylphenyl)-N-[(4-methoxyphenyl)methyl]ethanamine

C18H23NO2 — CID 43178128

IUPAC1-(2-methoxy-5-methylphenyl)-N-[(4-methoxyphenyl)methyl]ethanamine
SMILESCOc1ccc(CNC(C)c2cc(C)ccc2OC)cc1
InChIInChI=1S/C18H23NO2/c1-13-5-10-18(21-4)17(11-13)14(2)19-12-15-6-8-16(20-3)9-7-15/h5-11,14,19H,12H2,1-4H3
InChIKeyAMCOXWYJQOMIRK-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.86
Rot. Bonds6

About 1-(2-methoxy-5-methylphenyl)-N-[(4-methoxyphenyl)methyl]ethanamine

1-(2-methoxy-5-methylphenyl)-N-[(4-methoxyphenyl)methyl]ethanamine (PubChem CID 43178128) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-N-[(4-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-N-[(4-methoxyphenyl)methyl]ethanamine
PubChem CID43178128
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-(2-methoxy-5-methylphenyl)-N-[(4-methoxyphenyl)methyl]ethanamine
SMILESCOc1ccc(CNC(C)c2cc(C)ccc2OC)cc1
InChIInChI=1S/C18H23NO2/c1-13-5-10-18(21-4)17(11-13)14(2)19-12-15-6-8-16(20-3)9-7-15/h5-11,14,19H,12H2,1-4H3
InChIKeyAMCOXWYJQOMIRK-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43177527
1-(2-methoxy-5-methylphenyl)-N-(thiophen-3-ylmethyl)ethanamine
CID 43225409
(1R)-1-(2-methoxy-5-methylphenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 97256225
1-(2-methoxy-5-methylphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine
CID 62992014
N-[(1-ethylpyrrol-3-yl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine
CID 66400523
N-[(2,4-dimethylphenyl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43225415
1-(2,5-dimethoxyphenyl)-N-[(3-iodo-5-methylphenyl)methyl]ethanamine
CID 170982893
1-(2,5-dimethoxyphenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 62994899
[4-[[1-(2-methoxy-4-methylphenyl)ethylamino]methyl]phenyl]methanol
CID 107230187
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine
CID 64540349
1-(2,5-dimethylphenyl)-N-[(4-ethoxyphenyl)methyl]ethanamine
CID 43221696
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine
CID 65246138

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-N-[(4-methoxyphenyl)methyl]ethanamine?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-N-[(4-methoxyphenyl)methyl]ethanamine (CID 43178128) is 1-(2-methoxy-5-methylphenyl)-N-[(4-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-N-[(4-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-N-[(4-methoxyphenyl)methyl]ethanamine is COc1ccc(CNC(C)c2cc(C)ccc2OC)cc1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-N-[(4-methoxyphenyl)methyl]ethanamine?
The InChIKey is AMCOXWYJQOMIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-13-5-10-18(21-4)17(11-13)14(2)19-12-15-6-8-16(20-3)9-7-15/h5-11,14,19H,12H2,1-4H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-N-[(4-methoxyphenyl)methyl]ethanamine?
1-(2-methoxy-5-methylphenyl)-N-[(4-methoxyphenyl)methyl]ethanamine has a molecular weight of 285.39 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-N-[(4-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 43178128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).