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

C23H25NO2 — CID 24808343

IUPAC2-[2-(3-methoxyphenyl)ethyl]-N-[(2-methoxyphenyl)methyl]aniline
SMILESCOc1cccc(CCc2ccccc2NCc2ccccc2OC)c1
InChIInChI=1S/C23H25NO2/c1-25-21-11-7-8-18(16-21)14-15-19-9-3-5-12-22(19)24-17-20-10-4-6-13-23(20)26-2/h3-13,16,24H,14-15,17H2,1-2H3
InChIKeyAHLGTKFUBIVLPN-UHFFFAOYSA-N
MW347.46 g/mol
LogP5.10
Rot. Bonds8

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

2-[2-(3-methoxyphenyl)ethyl]-N-[(2-methoxyphenyl)methyl]aniline (PubChem CID 24808343) has the molecular formula C23H25NO2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-[2-(3-methoxyphenyl)ethyl]-N-[(2-methoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name2-[2-(3-methoxyphenyl)ethyl]-N-[(2-methoxyphenyl)methyl]aniline
PubChem CID24808343
Molecular FormulaC23H25NO2
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC Name2-[2-(3-methoxyphenyl)ethyl]-N-[(2-methoxyphenyl)methyl]aniline
SMILESCOc1cccc(CCc2ccccc2NCc2ccccc2OC)c1
InChIInChI=1S/C23H25NO2/c1-25-21-11-7-8-18(16-21)14-15-19-9-3-5-12-22(19)24-17-20-10-4-6-13-23(20)26-2/h3-13,16,24H,14-15,17H2,1-2H3
InChIKeyAHLGTKFUBIVLPN-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

2-[2-(3-methoxyphenyl)ethyl]-N-[(4-methoxyphenyl)methyl]aniline;hydrochloride
CID 24807983
[2-[(2,4-dimethoxyphenyl)methylamino]phenyl]methanol
CID 43743131
1-[2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]phenyl]-2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]benzene
CID 172870468
2-N-[2-(3-methoxyphenyl)ethyl]benzene-1,2-diamine
CID 107844845
N-[(2-methoxyphenyl)methyl]-3-phenylmethoxyaniline
CID 54801294
1-[(2-methoxyphenyl)methyl]-3-[(3-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111216424
N-[2-(3-methoxyphenyl)ethyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282289
3-(3-aminopropyl)-N-[(2-methoxyphenyl)methyl]aniline
CID 46194968
N-[(2-methoxyphenyl)methyl]-2-[(S)-(3-methoxyphenyl)methylsulfinyl]acetamide
CID 96548241
2-[2-[(2-methoxyphenyl)methylamino]phenyl]acetamide
CID 43738441
4,6-bis[2-(3-methoxyphenyl)ethyl]benzene-1,2,3-triol
CID 172870856
6-[2-(3-methoxyphenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109348949

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxyphenyl)ethyl]-N-[(2-methoxyphenyl)methyl]aniline?
The IUPAC name of 2-[2-(3-methoxyphenyl)ethyl]-N-[(2-methoxyphenyl)methyl]aniline (CID 24808343) is 2-[2-(3-methoxyphenyl)ethyl]-N-[(2-methoxyphenyl)methyl]aniline.
What is the SMILES notation for 2-[2-(3-methoxyphenyl)ethyl]-N-[(2-methoxyphenyl)methyl]aniline?
The canonical SMILES for 2-[2-(3-methoxyphenyl)ethyl]-N-[(2-methoxyphenyl)methyl]aniline is COc1cccc(CCc2ccccc2NCc2ccccc2OC)c1.
What is the InChIKey of 2-[2-(3-methoxyphenyl)ethyl]-N-[(2-methoxyphenyl)methyl]aniline?
The InChIKey is AHLGTKFUBIVLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2/c1-25-21-11-7-8-18(16-21)14-15-19-9-3-5-12-22(19)24-17-20-10-4-6-13-23(20)26-2/h3-13,16,24H,14-15,17H2,1-2H3.
What are the key properties of 2-[2-(3-methoxyphenyl)ethyl]-N-[(2-methoxyphenyl)methyl]aniline?
2-[2-(3-methoxyphenyl)ethyl]-N-[(2-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-[(2-methoxyphenyl)methyl]aniline is sourced from PubChem (CID 24808343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).