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

C15H17NO — CID 66916764

IUPACN-[(3-methoxyphenyl)methyl]-N-methylaniline
SMILESCOc1cccc(CN(C)c2ccccc2)c1
InChIInChI=1S/C15H17NO/c1-16(14-8-4-3-5-9-14)12-13-7-6-10-15(11-13)17-2/h3-11H,12H2,1-2H3
InChIKeyCQTXXTLDMQQIIZ-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.33
Rot. Bonds4

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

N-[(3-methoxyphenyl)methyl]-N-methylaniline (PubChem CID 66916764) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-N-methylaniline.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-N-methylaniline
PubChem CID66916764
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC NameN-[(3-methoxyphenyl)methyl]-N-methylaniline
SMILESCOc1cccc(CN(C)c2ccccc2)c1
InChIInChI=1S/C15H17NO/c1-16(14-8-4-3-5-9-14)12-13-7-6-10-15(11-13)17-2/h3-11H,12H2,1-2H3
InChIKeyCQTXXTLDMQQIIZ-UHFFFAOYSA-N
XLogP3.33
TPSA12.47 Ų
H-Bond Donors
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 ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[(3-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

3-[(3-methoxyphenyl)methyl-methylamino]benzoic acid
CID 39369981
4-[(3-methoxyphenyl)methyl-methylamino]benzaldehyde
CID 61418108
N,N-dimethyl-3-[(N-methylanilino)methyl]aniline
CID 99811191
N-benzyl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 70971804
1-N-ethyl-4-N,4-N-bis[(3-methoxyphenyl)methyl]-1-N-phenylbenzene-1,4-diamine
CID 70842745
2-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-4-amine
CID 61418078
2-ethoxy-4-N-[(3-methoxyphenyl)methyl]-4-N-methylbenzene-1,4-diamine
CID 63671838
5-[(3-methoxy-N-methylanilino)methyl]-2-methylaniline
CID 62004359
N-[(3-methoxyphenyl)methyl]-N-phenylbenzenesulfonamide
CID 57388637
N'-[(3-methoxyphenyl)methyl]-N'-phenylpropane-1,3-diamine
CID 28770483
1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylmethanamine
CID 22070460
N-benzyl-2-bromo-N-[(3-methoxyphenyl)methyl]ethanamine
CID 80679001

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-N-methylaniline?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-N-methylaniline (CID 66916764) is N-[(3-methoxyphenyl)methyl]-N-methylaniline.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-N-methylaniline?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-N-methylaniline is COc1cccc(CN(C)c2ccccc2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-N-methylaniline?
The InChIKey is CQTXXTLDMQQIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-16(14-8-4-3-5-9-14)12-13-7-6-10-15(11-13)17-2/h3-11H,12H2,1-2H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-N-methylaniline?
N-[(3-methoxyphenyl)methyl]-N-methylaniline has a molecular weight of 227.31 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-N-methylaniline is sourced from PubChem (CID 66916764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).