N-[(3,4-dimethoxyphenyl)-(3-methylphenyl)methyl]ethanamine

C18H23NO2 — CID 43488776

IUPACN-[(3,4-dimethoxyphenyl)-(3-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(C)c1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C18H23NO2/c1-5-19-18(14-8-6-7-13(2)11-14)15-9-10-16(20-3)17(12-15)21-4/h6-12,18-19H,5H2,1-4H3
InChIKeyLAVKQDSXRDZNTE-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.71
Rot. Bonds6

About N-[(3,4-dimethoxyphenyl)-(3-methylphenyl)methyl]ethanamine

N-[(3,4-dimethoxyphenyl)-(3-methylphenyl)methyl]ethanamine (PubChem CID 43488776) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)-(3-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)-(3-methylphenyl)methyl]ethanamine
PubChem CID43488776
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-[(3,4-dimethoxyphenyl)-(3-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(C)c1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C18H23NO2/c1-5-19-18(14-8-6-7-13(2)11-14)15-9-10-16(20-3)17(12-15)21-4/h6-12,18-19H,5H2,1-4H3
InChIKeyLAVKQDSXRDZNTE-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluoro-3-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine
CID 115790055
N-[(3-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine
CID 60797781
N-[(3,4-dimethoxyphenyl)-(4-methyl-2-pyridinyl)methyl]ethanamine
CID 63840251
N-[(3-methoxy-4-methylphenyl)-phenylmethyl]ethanamine
CID 43489086
N-[(4-ethylphenyl)-(3-methylphenyl)methyl]ethanamine
CID 43491470
N-[(3-bromo-4-methoxyphenyl)-(3-methylphenyl)methyl]propan-1-amine
CID 43493872
N-[(4-fluoro-3-methoxyphenyl)-(3-methylphenyl)methyl]propan-1-amine
CID 115789718
N-[(3,4-dimethoxyphenyl)-pyrimidin-5-ylmethyl]ethanamine
CID 62491347
N-[(6-methoxypyridazin-3-yl)-(3-methylphenyl)methyl]ethanamine
CID 103374514
N-[(3,4-dimethoxyphenyl)-phenylmethyl]propan-1-amine
CID 43494597
N-[(2,6-difluoro-4-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine
CID 60964653
N-[(5-methylfuran-3-yl)-(3-methylphenyl)methyl]ethanamine
CID 115790238

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)-(3-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(3,4-dimethoxyphenyl)-(3-methylphenyl)methyl]ethanamine (CID 43488776) is N-[(3,4-dimethoxyphenyl)-(3-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)-(3-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)-(3-methylphenyl)methyl]ethanamine is CCNC(c1cccc(C)c1)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)-(3-methylphenyl)methyl]ethanamine?
The InChIKey is LAVKQDSXRDZNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-5-19-18(14-8-6-7-13(2)11-14)15-9-10-16(20-3)17(12-15)21-4/h6-12,18-19H,5H2,1-4H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)-(3-methylphenyl)methyl]ethanamine?
N-[(3,4-dimethoxyphenyl)-(3-methylphenyl)methyl]ethanamine has a molecular weight of 285.39 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)-(3-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 43488776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).