N-[(4-methoxyphenyl)methyl]-N-methylaniline

C15H17NO — CID 13203874

IUPACN-[(4-methoxyphenyl)methyl]-N-methylaniline
SMILESCOc1ccc(CN(C)c2ccccc2)cc1
InChIInChI=1S/C15H17NO/c1-16(14-6-4-3-5-7-14)12-13-8-10-15(17-2)11-9-13/h3-11H,12H2,1-2H3
InChIKeyBIAUWRCPQPNKMP-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.33
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]-N-methylaniline

N-[(4-methoxyphenyl)methyl]-N-methylaniline (PubChem CID 13203874) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-methylaniline.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N-methylaniline
PubChem CID13203874
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC NameN-[(4-methoxyphenyl)methyl]-N-methylaniline
SMILESCOc1ccc(CN(C)c2ccccc2)cc1
InChIInChI=1S/C15H17NO/c1-16(14-6-4-3-5-7-14)12-13-8-10-15(17-2)11-9-13/h3-11H,12H2,1-2H3
InChIKeyBIAUWRCPQPNKMP-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-[(4-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

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N-methylaniline?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-methylaniline (CID 13203874) is N-[(4-methoxyphenyl)methyl]-N-methylaniline.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N-methylaniline?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N-methylaniline is COc1ccc(CN(C)c2ccccc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N-methylaniline?
The InChIKey is BIAUWRCPQPNKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-16(14-6-4-3-5-7-14)12-13-8-10-15(17-2)11-9-13/h3-11H,12H2,1-2H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-N-methylaniline?
N-[(4-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-[(4-methoxyphenyl)methyl]-N-methylaniline is sourced from PubChem (CID 13203874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).