3-[(2-methoxyphenyl)methyl]-N-methylaniline

C15H17NO — CID 116925940

IUPAC3-[(2-methoxyphenyl)methyl]-N-methylaniline
SMILESCNc1cccc(Cc2ccccc2OC)c1
InChIInChI=1S/C15H17NO/c1-16-14-8-5-6-12(11-14)10-13-7-3-4-9-15(13)17-2/h3-9,11,16H,10H2,1-2H3
InChIKeySAWQOWZHYUSZCS-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.33
Rot. Bonds4

About 3-[(2-methoxyphenyl)methyl]-N-methylaniline

3-[(2-methoxyphenyl)methyl]-N-methylaniline (PubChem CID 116925940) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-[(2-methoxyphenyl)methyl]-N-methylaniline.

Molecular Properties

Compound Name3-[(2-methoxyphenyl)methyl]-N-methylaniline
PubChem CID116925940
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name3-[(2-methoxyphenyl)methyl]-N-methylaniline
SMILESCNc1cccc(Cc2ccccc2OC)c1
InChIInChI=1S/C15H17NO/c1-16-14-8-5-6-12(11-14)10-13-7-3-4-9-15(13)17-2/h3-9,11,16H,10H2,1-2H3
InChIKeySAWQOWZHYUSZCS-UHFFFAOYSA-N
XLogP3.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(2-methoxyphenyl)methyl]-N-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-3-[(2,4,5-trimethylphenyl)methyl]aniline
CID 116925902
[4-[(2-methoxyphenyl)methyl]phenyl]methanol
CID 54205335
1-methoxy-2-[(4-phenylphenyl)methyl]benzene
CID 174370208
3-(3-aminopropyl)-N-[(2-methoxyphenyl)methyl]aniline
CID 46194968
1-[3-[[(2-methoxyphenyl)methylamino]methyl]phenyl]-N-methylmethanamine
CID 174192701
1,5-dibenzyl-2,4-dimethoxybenzene
CID 134865682
N-(3-ethylphenyl)-3-(2-methoxyphenyl)propanamide
CID 7699788
N-[(2-methoxyphenyl)methyl]-3-phenylmethoxyaniline
CID 54801294
2,4-dimethoxy-1-[(3-methoxyphenyl)methyl]benzene
CID 173405518
2-benzyl-N-(2-methoxyphenyl)aniline
CID 59889451
1-[3-[(2-methoxyphenyl)methylsulfanyl]phenyl]-N-methylmethanamine
CID 66347822
3-[3-(2-carboxyethyl)-5-[(2-methoxyphenyl)methyl]phenyl]propanoic acid
CID 67636560

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenyl)methyl]-N-methylaniline?
The IUPAC name of 3-[(2-methoxyphenyl)methyl]-N-methylaniline (CID 116925940) is 3-[(2-methoxyphenyl)methyl]-N-methylaniline.
What is the SMILES notation for 3-[(2-methoxyphenyl)methyl]-N-methylaniline?
The canonical SMILES for 3-[(2-methoxyphenyl)methyl]-N-methylaniline is CNc1cccc(Cc2ccccc2OC)c1.
What is the InChIKey of 3-[(2-methoxyphenyl)methyl]-N-methylaniline?
The InChIKey is SAWQOWZHYUSZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-16-14-8-5-6-12(11-14)10-13-7-3-4-9-15(13)17-2/h3-9,11,16H,10H2,1-2H3.
What are the key properties of 3-[(2-methoxyphenyl)methyl]-N-methylaniline?
3-[(2-methoxyphenyl)methyl]-N-methylaniline has a molecular weight of 227.31 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenyl)methyl]-N-methylaniline is sourced from PubChem (CID 116925940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).