4-methoxy-N,2-dimethylaniline

C9H13NO — CID 14567814

IUPAC4-methoxy-N,2-dimethylaniline
SMILESCNc1ccc(OC)cc1C
InChIInChI=1S/C9H13NO/c1-7-6-8(11-3)4-5-9(7)10-2/h4-6,10H,1-3H3
InChIKeyMZMCAKDBWLUQPE-UHFFFAOYSA-N
MW151.21 g/mol
LogP2.05
Rot. Bonds2

About 4-methoxy-N,2-dimethylaniline

4-methoxy-N,2-dimethylaniline (PubChem CID 14567814) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 4-methoxy-N,2-dimethylaniline.

Molecular Properties

Compound Name4-methoxy-N,2-dimethylaniline
PubChem CID14567814
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name4-methoxy-N,2-dimethylaniline
SMILESCNc1ccc(OC)cc1C
InChIInChI=1S/C9H13NO/c1-7-6-8(11-3)4-5-9(7)10-2/h4-6,10H,1-3H3
InChIKeyMZMCAKDBWLUQPE-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methoxy-N,2-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 4-methoxy-N,2-dimethylaniline?
The IUPAC name of 4-methoxy-N,2-dimethylaniline (CID 14567814) is 4-methoxy-N,2-dimethylaniline.
What is the SMILES notation for 4-methoxy-N,2-dimethylaniline?
The canonical SMILES for 4-methoxy-N,2-dimethylaniline is CNc1ccc(OC)cc1C.
What is the InChIKey of 4-methoxy-N,2-dimethylaniline?
The InChIKey is MZMCAKDBWLUQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-7-6-8(11-3)4-5-9(7)10-2/h4-6,10H,1-3H3.
What are the key properties of 4-methoxy-N,2-dimethylaniline?
4-methoxy-N,2-dimethylaniline has a molecular weight of 151.21 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,2-dimethylaniline is sourced from PubChem (CID 14567814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).