N-[(2-ethylphenyl)methyl]-2-(3-methoxyphenyl)ethanamine

C18H23NO — CID 107850248

IUPACN-[(2-ethylphenyl)methyl]-2-(3-methoxyphenyl)ethanamine
SMILESCCc1ccccc1CNCCc1cccc(OC)c1
InChIInChI=1S/C18H23NO/c1-3-16-8-4-5-9-17(16)14-19-12-11-15-7-6-10-18(13-15)20-2/h4-10,13,19H,3,11-12,14H2,1-2H3
InChIKeyJLYVBHCIWBMSTK-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.59
Rot. Bonds7

About N-[(2-ethylphenyl)methyl]-2-(3-methoxyphenyl)ethanamine

N-[(2-ethylphenyl)methyl]-2-(3-methoxyphenyl)ethanamine (PubChem CID 107850248) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[(2-ethylphenyl)methyl]-2-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[(2-ethylphenyl)methyl]-2-(3-methoxyphenyl)ethanamine
PubChem CID107850248
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[(2-ethylphenyl)methyl]-2-(3-methoxyphenyl)ethanamine
SMILESCCc1ccccc1CNCCc1cccc(OC)c1
InChIInChI=1S/C18H23NO/c1-3-16-8-4-5-9-17(16)14-19-12-11-15-7-6-10-18(13-15)20-2/h4-10,13,19H,3,11-12,14H2,1-2H3
InChIKeyJLYVBHCIWBMSTK-UHFFFAOYSA-N
XLogP3.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-methoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 39357471
1-[(2-ethylphenyl)methyl]-3-[2-(3-methoxyphenyl)ethyl]-2-methylguanidine
CID 111636111
N-[(3-methoxyphenyl)methyl]-2-(3-methylphenyl)ethanamine
CID 62315348
N-[(3-methoxyphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 52916342
2-(3-methoxyphenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine
CID 177381530
N'-[2-(3-methoxyphenyl)ethyl]-N-propylpropane-1,3-diamine
CID 113410220
3-[2-(3-methoxyphenyl)ethylamino]-N-[(2-methylphenyl)methyl]propanamide
CID 109019095
2-(3,5-difluorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 62315705
1-ethyl-3-methoxybenzene;hydrofluoride
CID 174493623
2-(1,3-benzodioxol-5-yl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 2165894
3-chloro-N-[2-(3-methoxyphenyl)ethyl]propan-1-amine
CID 115215888
N-[2-[2-(3-methoxyphenyl)ethylamino]ethyl]acetamide
CID 107852146

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylphenyl)methyl]-2-(3-methoxyphenyl)ethanamine?
The IUPAC name of N-[(2-ethylphenyl)methyl]-2-(3-methoxyphenyl)ethanamine (CID 107850248) is N-[(2-ethylphenyl)methyl]-2-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[(2-ethylphenyl)methyl]-2-(3-methoxyphenyl)ethanamine?
The canonical SMILES for N-[(2-ethylphenyl)methyl]-2-(3-methoxyphenyl)ethanamine is CCc1ccccc1CNCCc1cccc(OC)c1.
What is the InChIKey of N-[(2-ethylphenyl)methyl]-2-(3-methoxyphenyl)ethanamine?
The InChIKey is JLYVBHCIWBMSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-3-16-8-4-5-9-17(16)14-19-12-11-15-7-6-10-18(13-15)20-2/h4-10,13,19H,3,11-12,14H2,1-2H3.
What are the key properties of N-[(2-ethylphenyl)methyl]-2-(3-methoxyphenyl)ethanamine?
N-[(2-ethylphenyl)methyl]-2-(3-methoxyphenyl)ethanamine has a molecular weight of 269.39 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylphenyl)methyl]-2-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 107850248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).