N-(4-methoxyphenyl)-2-methylpropan-1-imine

C11H15NO — CID 10976041

IUPACN-(4-methoxyphenyl)-2-methylpropan-1-imine
SMILESCOc1ccc(/N=C/C(C)C)cc1
InChIInChI=1S/C11H15NO/c1-9(2)8-12-10-4-6-11(13-3)7-5-10/h4-9H,1-3H3/b12-8+
InChIKeyLSYXDKLOPHZBQM-XYOKQWHBSA-N
MW177.25 g/mol
LogP3.05
Rot. Bonds3

About N-(4-methoxyphenyl)-2-methylpropan-1-imine

N-(4-methoxyphenyl)-2-methylpropan-1-imine (PubChem CID 10976041) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-methylpropan-1-imine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-methylpropan-1-imine
PubChem CID10976041
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC NameN-(4-methoxyphenyl)-2-methylpropan-1-imine
SMILESCOc1ccc(/N=C/C(C)C)cc1
InChIInChI=1S/C11H15NO/c1-9(2)8-12-10-4-6-11(13-3)7-5-10/h4-9H,1-3H3/b12-8+
InChIKeyLSYXDKLOPHZBQM-XYOKQWHBSA-N
XLogP3.05
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-methylpropan-1-imine?
The IUPAC name of N-(4-methoxyphenyl)-2-methylpropan-1-imine (CID 10976041) is N-(4-methoxyphenyl)-2-methylpropan-1-imine.
What is the SMILES notation for N-(4-methoxyphenyl)-2-methylpropan-1-imine?
The canonical SMILES for N-(4-methoxyphenyl)-2-methylpropan-1-imine is COc1ccc(/N=C/C(C)C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-methylpropan-1-imine?
The InChIKey is LSYXDKLOPHZBQM-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H15NO/c1-9(2)8-12-10-4-6-11(13-3)7-5-10/h4-9H,1-3H3/b12-8+.
What are the key properties of N-(4-methoxyphenyl)-2-methylpropan-1-imine?
N-(4-methoxyphenyl)-2-methylpropan-1-imine has a molecular weight of 177.25 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-methylpropan-1-imine is sourced from PubChem (CID 10976041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).