2-(2-methoxyphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride

C23H26ClNO2 — CID 17207157

IUPAC2-(2-methoxyphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
SMILESCOc1ccccc1CCNCc1ccc(OCc2ccccc2)cc1.Cl
InChIInChI=1S/C23H25NO2.ClH/c1-25-23-10-6-5-9-21(23)15-16-24-17-19-11-13-22(14-12-19)26-18-20-7-3-2-4-8-20;/h2-14,24H,15-18H2,1H3;1H
InChIKeyZFQLRWLHANVVIY-UHFFFAOYSA-N
MW383.92 g/mol
LogP5.03
Rot. Bonds9

About 2-(2-methoxyphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride

2-(2-methoxyphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride (PubChem CID 17207157) has the molecular formula C23H26ClNO2 and a molecular weight of 383.92 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
PubChem CID17207157
Molecular FormulaC23H26ClNO2
Molecular Weight383.92 g/mol
Exact Mass383.17
IUPAC Name2-(2-methoxyphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
SMILESCOc1ccccc1CCNCc1ccc(OCc2ccccc2)cc1.Cl
InChIInChI=1S/C23H25NO2.ClH/c1-25-23-10-6-5-9-21(23)15-16-24-17-19-11-13-22(14-12-19)26-18-20-7-3-2-4-8-20;/h2-14,24H,15-18H2,1H3;1H
InChIKeyZFQLRWLHANVVIY-UHFFFAOYSA-N
XLogP5.03
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.92
LogP ≤ 55.03
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

4-[[2-(2-methoxyphenyl)ethylamino]methyl]-N,N-dimethylaniline;dihydrochloride
CID 17207419
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 17207485
N-[(3-ethoxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine
CID 17207330
2-[(4-phenylmethoxyphenyl)methylamino]ethanol
CID 2200287
N-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine
CID 66532263
N-[(4-phenylmethoxyphenyl)methyl]octan-1-amine;hydrochloride
CID 17331183
N-[4-[[2-(2-methoxyphenyl)ethylamino]methyl]phenyl]acetamide
CID 47009079
1-(4-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 738542
2-methylsulfanyl-N-[(4-phenylmethoxyphenyl)methyl]ethanamine
CID 60658282
2-(2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 121230760
5-[[2-(2-methoxyphenyl)ethylamino]methyl]-N-methylpyrimidin-2-amine
CID 102536210
N-[[3-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 17207465

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride?
The IUPAC name of 2-(2-methoxyphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride (CID 17207157) is 2-(2-methoxyphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride?
The canonical SMILES for 2-(2-methoxyphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride is COc1ccccc1CCNCc1ccc(OCc2ccccc2)cc1.Cl.
What is the InChIKey of 2-(2-methoxyphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride?
The InChIKey is ZFQLRWLHANVVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2.ClH/c1-25-23-10-6-5-9-21(23)15-16-24-17-19-11-13-22(14-12-19)26-18-20-7-3-2-4-8-20;/h2-14,24H,15-18H2,1H3;1H.
What are the key properties of 2-(2-methoxyphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride?
2-(2-methoxyphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride has a molecular weight of 383.92 g/mol, XLogP of 5.03, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride is sourced from PubChem (CID 17207157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).