4-methyl-2-phenylmethoxyaniline

C14H15NO — CID 10987611

IUPAC4-methyl-2-phenylmethoxyaniline
SMILESCc1ccc(N)c(OCc2ccccc2)c1
InChIInChI=1S/C14H15NO/c1-11-7-8-13(15)14(9-11)16-10-12-5-3-2-4-6-12/h2-9H,10,15H2,1H3
InChIKeyIYNAFJNNIUCCDM-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.16
Rot. Bonds3

About 4-methyl-2-phenylmethoxyaniline

4-methyl-2-phenylmethoxyaniline (PubChem CID 10987611) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-methyl-2-phenylmethoxyaniline.

Molecular Properties

Compound Name4-methyl-2-phenylmethoxyaniline
PubChem CID10987611
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name4-methyl-2-phenylmethoxyaniline
SMILESCc1ccc(N)c(OCc2ccccc2)c1
InChIInChI=1S/C14H15NO/c1-11-7-8-13(15)14(9-11)16-10-12-5-3-2-4-6-12/h2-9H,10,15H2,1H3
InChIKeyIYNAFJNNIUCCDM-UHFFFAOYSA-N
XLogP3.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-methyl-2-phenylmethoxyaniline 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 4-methyl-2-phenylmethoxyaniline?
The IUPAC name of 4-methyl-2-phenylmethoxyaniline (CID 10987611) is 4-methyl-2-phenylmethoxyaniline.
What is the SMILES notation for 4-methyl-2-phenylmethoxyaniline?
The canonical SMILES for 4-methyl-2-phenylmethoxyaniline is Cc1ccc(N)c(OCc2ccccc2)c1.
What is the InChIKey of 4-methyl-2-phenylmethoxyaniline?
The InChIKey is IYNAFJNNIUCCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-11-7-8-13(15)14(9-11)16-10-12-5-3-2-4-6-12/h2-9H,10,15H2,1H3.
What are the key properties of 4-methyl-2-phenylmethoxyaniline?
4-methyl-2-phenylmethoxyaniline has a molecular weight of 213.28 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenylmethoxyaniline is sourced from PubChem (CID 10987611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).