N-benzyl-2-methoxy-4-methylaniline

C15H17NO — CID 54865649

IUPACN-benzyl-2-methoxy-4-methylaniline
SMILESCOc1cc(C)ccc1NCc1ccccc1
InChIInChI=1S/C15H17NO/c1-12-8-9-14(15(10-12)17-2)16-11-13-6-4-3-5-7-13/h3-10,16H,11H2,1-2H3
InChIKeyRVAKLNLFDJCMPQ-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.62
Rot. Bonds4

About N-benzyl-2-methoxy-4-methylaniline

N-benzyl-2-methoxy-4-methylaniline (PubChem CID 54865649) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is N-benzyl-2-methoxy-4-methylaniline.

Molecular Properties

Compound NameN-benzyl-2-methoxy-4-methylaniline
PubChem CID54865649
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC NameN-benzyl-2-methoxy-4-methylaniline
SMILESCOc1cc(C)ccc1NCc1ccccc1
InChIInChI=1S/C15H17NO/c1-12-8-9-14(15(10-12)17-2)16-11-13-6-4-3-5-7-13/h3-10,16H,11H2,1-2H3
InChIKeyRVAKLNLFDJCMPQ-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-benzyl-2-methoxy-4-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

2-methoxy-4-methyl-N-[(4-methylphenyl)methyl]aniline
CID 54865900
2-methoxy-4-methyl-N-[(3-methylphenyl)methyl]aniline
CID 54865901
N-benzyl-2-(2-methoxyethoxy)-4-methylaniline
CID 60935556
N-[(4-tert-butylphenyl)methyl]-2-methoxy-4-methylaniline
CID 63451276
N-[(3,5-difluorophenyl)methyl]-2-methoxy-4-methylaniline
CID 103852096
2-methoxy-4-methyl-N-[(3-propan-2-yloxyphenyl)methyl]aniline
CID 61211307
4-[(2-methoxy-4-methylanilino)methyl]-2,6-dimethylphenol
CID 60931109
N-benzyl-2,6-dimethoxy-4-methylaniline
CID 140970852
N-benzyl-4,5-dimethoxy-2-methylaniline
CID 43230212
N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-4-methylaniline
CID 55040204
2-methoxy-4-methyl-N-[(4-prop-2-enoxyphenyl)methyl]aniline
CID 60931237
N-benzyl-2-bromo-4-methylaniline
CID 11242845

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methoxy-4-methylaniline?
The IUPAC name of N-benzyl-2-methoxy-4-methylaniline (CID 54865649) is N-benzyl-2-methoxy-4-methylaniline.
What is the SMILES notation for N-benzyl-2-methoxy-4-methylaniline?
The canonical SMILES for N-benzyl-2-methoxy-4-methylaniline is COc1cc(C)ccc1NCc1ccccc1.
What is the InChIKey of N-benzyl-2-methoxy-4-methylaniline?
The InChIKey is RVAKLNLFDJCMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-12-8-9-14(15(10-12)17-2)16-11-13-6-4-3-5-7-13/h3-10,16H,11H2,1-2H3.
What are the key properties of N-benzyl-2-methoxy-4-methylaniline?
N-benzyl-2-methoxy-4-methylaniline has a molecular weight of 227.31 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methoxy-4-methylaniline is sourced from PubChem (CID 54865649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).