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

C23H25NO2 — CID 24807980

IUPAC2-[2-(3-methoxyphenyl)ethyl]-N-[(3-methoxyphenyl)methyl]aniline
SMILESCOc1cccc(CCc2ccccc2NCc2cccc(OC)c2)c1
InChIInChI=1S/C23H25NO2/c1-25-21-10-5-7-18(15-21)13-14-20-9-3-4-12-23(20)24-17-19-8-6-11-22(16-19)26-2/h3-12,15-16,24H,13-14,17H2,1-2H3
InChIKeyDRROXUBCBJIALG-UHFFFAOYSA-N
MW347.46 g/mol
LogP5.10
Rot. Bonds8

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

2-[2-(3-methoxyphenyl)ethyl]-N-[(3-methoxyphenyl)methyl]aniline (PubChem CID 24807980) has the molecular formula C23H25NO2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-[2-(3-methoxyphenyl)ethyl]-N-[(3-methoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name2-[2-(3-methoxyphenyl)ethyl]-N-[(3-methoxyphenyl)methyl]aniline
PubChem CID24807980
Molecular FormulaC23H25NO2
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC Name2-[2-(3-methoxyphenyl)ethyl]-N-[(3-methoxyphenyl)methyl]aniline
SMILESCOc1cccc(CCc2ccccc2NCc2cccc(OC)c2)c1
InChIInChI=1S/C23H25NO2/c1-25-21-10-5-7-18(15-21)13-14-20-9-3-4-12-23(20)24-17-19-8-6-11-22(16-19)26-2/h3-12,15-16,24H,13-14,17H2,1-2H3
InChIKeyDRROXUBCBJIALG-UHFFFAOYSA-N
XLogP5.10
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.46
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethoxyquin
CID 3293
4-methoxy-2-methyl-N-phenylaniline
CID 162461
N-Benzyl-4-methoxyaniline
CID 519413
4-methoxy-N-(1-phenylethyl)aniline
CID 3849761
4-(4-methoxyphenyl)-1H-quinolin-2-one
CID 672272
3,4-Dimethoxy-N-(4-methoxyphenyl)benzylamine
CID 784220
N-(4-Methoxybenzyl)aniline
CID 408377
Quinoline, 1,2,3,4-tetrahydro-6-methoxy-
CID 67113
4,4'-[(4-Methoxyphenyl)methylene]bis(N,N-dimethylaniline)
CID 348623
4-(((2-(Benzyloxy)phenyl)methyl)amino)phenol
CID 833990
6-(2-methoxyphenyl)-2,2-dimethyl-4-{1-[(2E)-pent-2-en-1-yloxy]ethyl}-1,2-dihydroquinoline
CID 9999671
6-(2-Methoxyphenyl)-2,2-dimethyl-4-[1-(prop-2-en-1-yloxy)propyl]-1,2-dihydroquinoline
CID 10021634

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxyphenyl)ethyl]-N-[(3-methoxyphenyl)methyl]aniline?
The IUPAC name of 2-[2-(3-methoxyphenyl)ethyl]-N-[(3-methoxyphenyl)methyl]aniline (CID 24807980) is 2-[2-(3-methoxyphenyl)ethyl]-N-[(3-methoxyphenyl)methyl]aniline.
What is the SMILES notation for 2-[2-(3-methoxyphenyl)ethyl]-N-[(3-methoxyphenyl)methyl]aniline?
The canonical SMILES for 2-[2-(3-methoxyphenyl)ethyl]-N-[(3-methoxyphenyl)methyl]aniline is COc1cccc(CCc2ccccc2NCc2cccc(OC)c2)c1.
What is the InChIKey of 2-[2-(3-methoxyphenyl)ethyl]-N-[(3-methoxyphenyl)methyl]aniline?
The InChIKey is DRROXUBCBJIALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2/c1-25-21-10-5-7-18(15-21)13-14-20-9-3-4-12-23(20)24-17-19-8-6-11-22(16-19)26-2/h3-12,15-16,24H,13-14,17H2,1-2H3.
What are the key properties of 2-[2-(3-methoxyphenyl)ethyl]-N-[(3-methoxyphenyl)methyl]aniline?
2-[2-(3-methoxyphenyl)ethyl]-N-[(3-methoxyphenyl)methyl]aniline has a molecular weight of 347.46 g/mol, XLogP of 5.10, 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-[(3-methoxyphenyl)methyl]aniline is sourced from PubChem (CID 24807980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).