2-[2-(3-methoxyphenyl)ethyl]-N-[(4-methoxyphenyl)methyl]aniline;hydrochloride

C23H26ClNO2 — CID 24807983

IUPAC2-[2-(3-methoxyphenyl)ethyl]-N-[(4-methoxyphenyl)methyl]aniline;hydrochloride
SMILESCOc1ccc(CNc2ccccc2CCc2cccc(OC)c2)cc1.Cl
InChIInChI=1S/C23H25NO2.ClH/c1-25-21-14-11-19(12-15-21)17-24-23-9-4-3-7-20(23)13-10-18-6-5-8-22(16-18)26-2;/h3-9,11-12,14-16,24H,10,13,17H2,1-2H3;1H
InChIKeyWZLQYSLRUFGNPJ-UHFFFAOYSA-N
MW383.92 g/mol
LogP5.52
Rot. Bonds8

About 2-[2-(3-methoxyphenyl)ethyl]-N-[(4-methoxyphenyl)methyl]aniline;hydrochloride

2-[2-(3-methoxyphenyl)ethyl]-N-[(4-methoxyphenyl)methyl]aniline;hydrochloride (PubChem CID 24807983) has the molecular formula C23H26ClNO2 and a molecular weight of 383.92 g/mol. Its IUPAC name is 2-[2-(3-methoxyphenyl)ethyl]-N-[(4-methoxyphenyl)methyl]aniline;hydrochloride.

Molecular Properties

Compound Name2-[2-(3-methoxyphenyl)ethyl]-N-[(4-methoxyphenyl)methyl]aniline;hydrochloride
PubChem CID24807983
Molecular FormulaC23H26ClNO2
Molecular Weight383.92 g/mol
Exact Mass383.17
IUPAC Name2-[2-(3-methoxyphenyl)ethyl]-N-[(4-methoxyphenyl)methyl]aniline;hydrochloride
SMILESCOc1ccc(CNc2ccccc2CCc2cccc(OC)c2)cc1.Cl
InChIInChI=1S/C23H25NO2.ClH/c1-25-21-14-11-19(12-15-21)17-24-23-9-4-3-7-20(23)13-10-18-6-5-8-22(16-18)26-2;/h3-9,11-12,14-16,24H,10,13,17H2,1-2H3;1H
InChIKeyWZLQYSLRUFGNPJ-UHFFFAOYSA-N
XLogP5.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.92
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-methoxyphenyl)ethyl]-N-[(2-methoxyphenyl)methyl]aniline
CID 24808343
1-methoxy-3-[2-[3-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172870937
4-methoxy-2-[2-(3-methoxyphenyl)ethyl]-1-methylbenzene
CID 13300063
2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]aniline
CID 18316983
4,6-bis[2-(3-methoxyphenyl)ethyl]benzene-1,2,3-triol
CID 172870856
N-benzyl-2-iodo-5-methoxyaniline
CID 71421777
N-[(4-methoxyphenyl)methyl]-2-phenylmethoxyaniline
CID 54801511
2-N-[2-(3-methoxyphenyl)ethyl]benzene-1,2-diamine
CID 107844845
2-(3-methoxyphenyl)-N-[(4-methylphenyl)methyl]aniline
CID 173372401
N-[(3-ethoxyphenyl)methyl]-2-(methoxymethyl)aniline
CID 60874269
1,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]-4-[4-[2-(3-methoxyphenyl)ethyl]phenoxy]benzene
CID 172871445
4-methoxy-N-[[3-(naphthalen-1-ylmethoxy)phenyl]methyl]aniline
CID 126124121

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxyphenyl)ethyl]-N-[(4-methoxyphenyl)methyl]aniline;hydrochloride?
The IUPAC name of 2-[2-(3-methoxyphenyl)ethyl]-N-[(4-methoxyphenyl)methyl]aniline;hydrochloride (CID 24807983) is 2-[2-(3-methoxyphenyl)ethyl]-N-[(4-methoxyphenyl)methyl]aniline;hydrochloride.
What is the SMILES notation for 2-[2-(3-methoxyphenyl)ethyl]-N-[(4-methoxyphenyl)methyl]aniline;hydrochloride?
The canonical SMILES for 2-[2-(3-methoxyphenyl)ethyl]-N-[(4-methoxyphenyl)methyl]aniline;hydrochloride is COc1ccc(CNc2ccccc2CCc2cccc(OC)c2)cc1.Cl.
What is the InChIKey of 2-[2-(3-methoxyphenyl)ethyl]-N-[(4-methoxyphenyl)methyl]aniline;hydrochloride?
The InChIKey is WZLQYSLRUFGNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2.ClH/c1-25-21-14-11-19(12-15-21)17-24-23-9-4-3-7-20(23)13-10-18-6-5-8-22(16-18)26-2;/h3-9,11-12,14-16,24H,10,13,17H2,1-2H3;1H.
What are the key properties of 2-[2-(3-methoxyphenyl)ethyl]-N-[(4-methoxyphenyl)methyl]aniline;hydrochloride?
2-[2-(3-methoxyphenyl)ethyl]-N-[(4-methoxyphenyl)methyl]aniline;hydrochloride has a molecular weight of 383.92 g/mol, XLogP of 5.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxyphenyl)ethyl]-N-[(4-methoxyphenyl)methyl]aniline;hydrochloride is sourced from PubChem (CID 24807983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).