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

C18H23NO2 — CID 17207330

IUPACN-[(3-ethoxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine
SMILESCCOc1cccc(CNCCc2ccccc2OC)c1
InChIInChI=1S/C18H23NO2/c1-3-21-17-9-6-7-15(13-17)14-19-12-11-16-8-4-5-10-18(16)20-2/h4-10,13,19H,3,11-12,14H2,1-2H3
InChIKeyYKGSYLMLBCZLJA-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.43
Rot. Bonds8

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

N-[(3-ethoxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine (PubChem CID 17207330) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[(3-ethoxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine
PubChem CID17207330
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-[(3-ethoxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine
SMILESCCOc1cccc(CNCCc2ccccc2OC)c1
InChIInChI=1S/C18H23NO2/c1-3-21-17-9-6-7-15(13-17)14-19-12-11-16-8-4-5-10-18(16)20-2/h4-10,13,19H,3,11-12,14H2,1-2H3
InChIKeyYKGSYLMLBCZLJA-UHFFFAOYSA-N
XLogP3.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-bromo-5-ethoxy-4-methoxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 17207346
2-(4-chlorophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine
CID 17208568
2-(2-methoxyphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17207157
3-[(3-ethoxyphenyl)methylamino]propanenitrile
CID 60872565
3-ethoxy-N-[(2-methoxyphenyl)methyl]aniline
CID 54800907
N-[(3-ethoxyphenyl)methyl]but-3-yn-1-amine
CID 63654869
N-[(3-ethoxyphenyl)methyl]pentan-1-amine
CID 4717531
1-ethyl-3-[(2-methoxyphenyl)methoxy]benzene
CID 60656964
N-[(2-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine
CID 66530888
N-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine
CID 66532263
N-benzyl-2-(2,3-diethoxyphenyl)ethanamine
CID 69362422
N-[(3-ethoxyphenyl)methyl]heptan-1-amine
CID 4717571

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine?
The IUPAC name of N-[(3-ethoxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine (CID 17207330) is N-[(3-ethoxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[(3-ethoxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine?
The canonical SMILES for N-[(3-ethoxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine is CCOc1cccc(CNCCc2ccccc2OC)c1.
What is the InChIKey of N-[(3-ethoxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine?
The InChIKey is YKGSYLMLBCZLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-3-21-17-9-6-7-15(13-17)14-19-12-11-16-8-4-5-10-18(16)20-2/h4-10,13,19H,3,11-12,14H2,1-2H3.
What are the key properties of N-[(3-ethoxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine?
N-[(3-ethoxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine has a molecular weight of 285.39 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine is sourced from PubChem (CID 17207330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).