2-ethoxy-N-[(4-methoxyphenyl)-phenylmethyl]ethanamine

C18H23NO2 — CID 43403754

IUPAC2-ethoxy-N-[(4-methoxyphenyl)-phenylmethyl]ethanamine
SMILESCCOCCNC(c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C18H23NO2/c1-3-21-14-13-19-18(15-7-5-4-6-8-15)16-9-11-17(20-2)12-10-16/h4-12,18-19H,3,13-14H2,1-2H3
InChIKeyPTFJFPYACUVASD-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.41
Rot. Bonds8

About 2-ethoxy-N-[(4-methoxyphenyl)-phenylmethyl]ethanamine

2-ethoxy-N-[(4-methoxyphenyl)-phenylmethyl]ethanamine (PubChem CID 43403754) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-ethoxy-N-[(4-methoxyphenyl)-phenylmethyl]ethanamine.

Molecular Properties

Compound Name2-ethoxy-N-[(4-methoxyphenyl)-phenylmethyl]ethanamine
PubChem CID43403754
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-ethoxy-N-[(4-methoxyphenyl)-phenylmethyl]ethanamine
SMILESCCOCCNC(c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C18H23NO2/c1-3-21-14-13-19-18(15-7-5-4-6-8-15)16-9-11-17(20-2)12-10-16/h4-12,18-19H,3,13-14H2,1-2H3
InChIKeyPTFJFPYACUVASD-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
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-[(4-methoxyphenyl)-phenylmethyl]prop-2-yn-1-amine
CID 43235878
2,2,2-trifluoro-N-[(4-methoxyphenyl)-phenylmethyl]ethanamine
CID 43167014
N-[(3-iodophenyl)-(4-methoxyphenyl)methyl]ethanamine
CID 43489185
3-ethoxy-N-[(S)-phenyl(pyridin-4-yl)methyl]propan-1-amine
CID 7273099
N-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 43489198
2-[2-[[(4-methylphenyl)-phenylmethyl]amino]ethoxy]ethanol
CID 110878023
N-[(4-ethylphenyl)-(4-methoxyphenyl)methyl]ethanamine
CID 43489197
N-(2-ethoxyethyl)-1,2-diphenylethanamine
CID 43403746
N-(2-ethoxyethyl)-1-(4-phenylphenyl)ethanamine
CID 43403695
1-(4-methoxyphenyl)-N-[(2-methylcyclopropyl)methyl]-1-phenylmethanamine
CID 115970933
N-[cyclopropyl(phenyl)methyl]-2-ethoxyethanamine
CID 61311612
3-[(3,3-diphenylpropylamino)-(4-methoxyphenyl)methyl]aniline
CID 18347065

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(4-methoxyphenyl)-phenylmethyl]ethanamine?
The IUPAC name of 2-ethoxy-N-[(4-methoxyphenyl)-phenylmethyl]ethanamine (CID 43403754) is 2-ethoxy-N-[(4-methoxyphenyl)-phenylmethyl]ethanamine.
What is the SMILES notation for 2-ethoxy-N-[(4-methoxyphenyl)-phenylmethyl]ethanamine?
The canonical SMILES for 2-ethoxy-N-[(4-methoxyphenyl)-phenylmethyl]ethanamine is CCOCCNC(c1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of 2-ethoxy-N-[(4-methoxyphenyl)-phenylmethyl]ethanamine?
The InChIKey is PTFJFPYACUVASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-3-21-14-13-19-18(15-7-5-4-6-8-15)16-9-11-17(20-2)12-10-16/h4-12,18-19H,3,13-14H2,1-2H3.
What are the key properties of 2-ethoxy-N-[(4-methoxyphenyl)-phenylmethyl]ethanamine?
2-ethoxy-N-[(4-methoxyphenyl)-phenylmethyl]ethanamine has a molecular weight of 285.39 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(4-methoxyphenyl)-phenylmethyl]ethanamine is sourced from PubChem (CID 43403754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).