N-(4-methoxy-2,3-dimethylphenyl)propan-2-imine

C12H17NO — CID 89091882

IUPACN-(4-methoxy-2,3-dimethylphenyl)propan-2-imine
SMILESCOc1ccc(N=C(C)C)c(C)c1C
InChIInChI=1S/C12H17NO/c1-8(2)13-11-6-7-12(14-5)10(4)9(11)3/h6-7H,1-5H3
InChIKeyZISCMBMSOMSFAS-UHFFFAOYSA-N
MW191.27 g/mol
LogP3.42
Rot. Bonds2

About N-(4-methoxy-2,3-dimethylphenyl)propan-2-imine

N-(4-methoxy-2,3-dimethylphenyl)propan-2-imine (PubChem CID 89091882) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-(4-methoxy-2,3-dimethylphenyl)propan-2-imine.

Molecular Properties

Compound NameN-(4-methoxy-2,3-dimethylphenyl)propan-2-imine
PubChem CID89091882
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-(4-methoxy-2,3-dimethylphenyl)propan-2-imine
SMILESCOc1ccc(N=C(C)C)c(C)c1C
InChIInChI=1S/C12H17NO/c1-8(2)13-11-6-7-12(14-5)10(4)9(11)3/h6-7H,1-5H3
InChIKeyZISCMBMSOMSFAS-UHFFFAOYSA-N
XLogP3.42
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-(4-methoxy-2,3-dimethylphenyl)propan-2-imine 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-(4-methoxy-2,3-dimethylphenyl)propan-2-imine?
The IUPAC name of N-(4-methoxy-2,3-dimethylphenyl)propan-2-imine (CID 89091882) is N-(4-methoxy-2,3-dimethylphenyl)propan-2-imine.
What is the SMILES notation for N-(4-methoxy-2,3-dimethylphenyl)propan-2-imine?
The canonical SMILES for N-(4-methoxy-2,3-dimethylphenyl)propan-2-imine is COc1ccc(N=C(C)C)c(C)c1C.
What is the InChIKey of N-(4-methoxy-2,3-dimethylphenyl)propan-2-imine?
The InChIKey is ZISCMBMSOMSFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-8(2)13-11-6-7-12(14-5)10(4)9(11)3/h6-7H,1-5H3.
What are the key properties of N-(4-methoxy-2,3-dimethylphenyl)propan-2-imine?
N-(4-methoxy-2,3-dimethylphenyl)propan-2-imine has a molecular weight of 191.27 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2,3-dimethylphenyl)propan-2-imine is sourced from PubChem (CID 89091882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).