N-(4-methoxy-3-methylphenyl)propan-2-imine

C11H15NO — CID 139454493

IUPACN-(4-methoxy-3-methylphenyl)propan-2-imine
SMILESCOc1ccc(N=C(C)C)cc1C
InChIInChI=1S/C11H15NO/c1-8(2)12-10-5-6-11(13-4)9(3)7-10/h5-7H,1-4H3
InChIKeyIZACMCJTMJNMGF-UHFFFAOYSA-N
MW177.25 g/mol
LogP3.12
Rot. Bonds2

About N-(4-methoxy-3-methylphenyl)propan-2-imine

N-(4-methoxy-3-methylphenyl)propan-2-imine (PubChem CID 139454493) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is N-(4-methoxy-3-methylphenyl)propan-2-imine.

Molecular Properties

Compound NameN-(4-methoxy-3-methylphenyl)propan-2-imine
PubChem CID139454493
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC NameN-(4-methoxy-3-methylphenyl)propan-2-imine
SMILESCOc1ccc(N=C(C)C)cc1C
InChIInChI=1S/C11H15NO/c1-8(2)12-10-5-6-11(13-4)9(3)7-10/h5-7H,1-4H3
InChIKeyIZACMCJTMJNMGF-UHFFFAOYSA-N
XLogP3.12
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxy-3-methylphenyl)guanidine
CID 62380394
N,1-bis(4-methoxy-3-methylphenyl)propan-2-imine
CID 139454386
N-(3-chloro-4-methoxyphenyl)propan-2-imine
CID 11745602
1-methoxy-2,4-dimethyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 169444379
N-(4-methoxy-2,3-dimethylphenyl)propan-2-imine
CID 89091882
(1S)-1-(4-methoxy-3-methylphenyl)ethanol
CID 39236071
methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155
1-cyclohexyl-N-(4-methoxy-3-methylphenyl)methanimine
CID 135055886
N'-(4-chloro-3-methoxyphenyl)ethanimidamide
CID 107623277
1-methoxy-2,4-dimethylbenzene;propane
CID 54037455
ethane;4-fluoro-1-methoxy-2-methylbenzene
CID 143329013
(E)-3-(4-methoxy-3-methylphenyl)prop-2-en-1-ol
CID 59912945

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-methylphenyl)propan-2-imine?
The IUPAC name of N-(4-methoxy-3-methylphenyl)propan-2-imine (CID 139454493) is N-(4-methoxy-3-methylphenyl)propan-2-imine.
What is the SMILES notation for N-(4-methoxy-3-methylphenyl)propan-2-imine?
The canonical SMILES for N-(4-methoxy-3-methylphenyl)propan-2-imine is COc1ccc(N=C(C)C)cc1C.
What is the InChIKey of N-(4-methoxy-3-methylphenyl)propan-2-imine?
The InChIKey is IZACMCJTMJNMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-8(2)12-10-5-6-11(13-4)9(3)7-10/h5-7H,1-4H3.
What are the key properties of N-(4-methoxy-3-methylphenyl)propan-2-imine?
N-(4-methoxy-3-methylphenyl)propan-2-imine has a molecular weight of 177.25 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-methylphenyl)propan-2-imine is sourced from PubChem (CID 139454493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).