N-methoxy-1-(4-methylphenyl)methanamine

C9H13NO — CID 23499551

IUPACN-methoxy-1-(4-methylphenyl)methanamine
SMILESCONCc1ccc(C)cc1
InChIInChI=1S/C9H13NO/c1-8-3-5-9(6-4-8)7-10-11-2/h3-6,10H,7H2,1-2H3
InChIKeyBNRQWGXEMCSRMJ-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.65
Rot. Bonds3

About N-methoxy-1-(4-methylphenyl)methanamine

N-methoxy-1-(4-methylphenyl)methanamine (PubChem CID 23499551) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is N-methoxy-1-(4-methylphenyl)methanamine.

Molecular Properties

Compound NameN-methoxy-1-(4-methylphenyl)methanamine
PubChem CID23499551
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC NameN-methoxy-1-(4-methylphenyl)methanamine
SMILESCONCc1ccc(C)cc1
InChIInChI=1S/C9H13NO/c1-8-3-5-9(6-4-8)7-10-11-2/h3-6,10H,7H2,1-2H3
InChIKeyBNRQWGXEMCSRMJ-UHFFFAOYSA-N
XLogP1.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-methoxy-1-(4-methylphenyl)methanamine 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-methoxy-1-(4-methylphenyl)methanamine?
The IUPAC name of N-methoxy-1-(4-methylphenyl)methanamine (CID 23499551) is N-methoxy-1-(4-methylphenyl)methanamine.
What is the SMILES notation for N-methoxy-1-(4-methylphenyl)methanamine?
The canonical SMILES for N-methoxy-1-(4-methylphenyl)methanamine is CONCc1ccc(C)cc1.
What is the InChIKey of N-methoxy-1-(4-methylphenyl)methanamine?
The InChIKey is BNRQWGXEMCSRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-8-3-5-9(6-4-8)7-10-11-2/h3-6,10H,7H2,1-2H3.
What are the key properties of N-methoxy-1-(4-methylphenyl)methanamine?
N-methoxy-1-(4-methylphenyl)methanamine has a molecular weight of 151.21 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-(4-methylphenyl)methanamine is sourced from PubChem (CID 23499551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).