2-(4-aminophenyl)-4-methoxy-N,N-dimethylaniline

C15H18N2O — CID 67533638

IUPAC2-(4-aminophenyl)-4-methoxy-N,N-dimethylaniline
SMILESCOc1ccc(N(C)C)c(-c2ccc(N)cc2)c1
InChIInChI=1S/C15H18N2O/c1-17(2)15-9-8-13(18-3)10-14(15)11-4-6-12(16)7-5-11/h4-10H,16H2,1-3H3
InChIKeyLTCVLPUPBYCGEJ-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.01
Rot. Bonds3

About 2-(4-aminophenyl)-4-methoxy-N,N-dimethylaniline

2-(4-aminophenyl)-4-methoxy-N,N-dimethylaniline (PubChem CID 67533638) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-(4-aminophenyl)-4-methoxy-N,N-dimethylaniline.

Molecular Properties

Compound Name2-(4-aminophenyl)-4-methoxy-N,N-dimethylaniline
PubChem CID67533638
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-(4-aminophenyl)-4-methoxy-N,N-dimethylaniline
SMILESCOc1ccc(N(C)C)c(-c2ccc(N)cc2)c1
InChIInChI=1S/C15H18N2O/c1-17(2)15-9-8-13(18-3)10-14(15)11-4-6-12(16)7-5-11/h4-10H,16H2,1-3H3
InChIKeyLTCVLPUPBYCGEJ-UHFFFAOYSA-N
XLogP3.01
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(4-aminophenyl)-4-methoxy-N,N-dimethylaniline 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 2-(4-aminophenyl)-4-methoxy-N,N-dimethylaniline?
The IUPAC name of 2-(4-aminophenyl)-4-methoxy-N,N-dimethylaniline (CID 67533638) is 2-(4-aminophenyl)-4-methoxy-N,N-dimethylaniline.
What is the SMILES notation for 2-(4-aminophenyl)-4-methoxy-N,N-dimethylaniline?
The canonical SMILES for 2-(4-aminophenyl)-4-methoxy-N,N-dimethylaniline is COc1ccc(N(C)C)c(-c2ccc(N)cc2)c1.
What is the InChIKey of 2-(4-aminophenyl)-4-methoxy-N,N-dimethylaniline?
The InChIKey is LTCVLPUPBYCGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-17(2)15-9-8-13(18-3)10-14(15)11-4-6-12(16)7-5-11/h4-10H,16H2,1-3H3.
What are the key properties of 2-(4-aminophenyl)-4-methoxy-N,N-dimethylaniline?
2-(4-aminophenyl)-4-methoxy-N,N-dimethylaniline has a molecular weight of 242.32 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-4-methoxy-N,N-dimethylaniline is sourced from PubChem (CID 67533638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).