N-(2,3-dimethylphenyl)propan-1-imine

C11H15N — CID 139886218

IUPACN-(2,3-dimethylphenyl)propan-1-imine
SMILESCC/C=N/c1cccc(C)c1C
InChIInChI=1S/C11H15N/c1-4-8-12-11-7-5-6-9(2)10(11)3/h5-8H,4H2,1-3H3/b12-8+
InChIKeyHNZLAUMKXMAIGJ-XYOKQWHBSA-N
MW161.25 g/mol
LogP3.42
Rot. Bonds2

About N-(2,3-dimethylphenyl)propan-1-imine

N-(2,3-dimethylphenyl)propan-1-imine (PubChem CID 139886218) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)propan-1-imine.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)propan-1-imine
PubChem CID139886218
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC NameN-(2,3-dimethylphenyl)propan-1-imine
SMILESCC/C=N/c1cccc(C)c1C
InChIInChI=1S/C11H15N/c1-4-8-12-11-7-5-6-9(2)10(11)3/h5-8H,4H2,1-3H3/b12-8+
InChIKeyHNZLAUMKXMAIGJ-XYOKQWHBSA-N
XLogP3.42
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(2,3-dimethylphenyl)propan-1-imine?
The IUPAC name of N-(2,3-dimethylphenyl)propan-1-imine (CID 139886218) is N-(2,3-dimethylphenyl)propan-1-imine.
What is the SMILES notation for N-(2,3-dimethylphenyl)propan-1-imine?
The canonical SMILES for N-(2,3-dimethylphenyl)propan-1-imine is CC/C=N/c1cccc(C)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)propan-1-imine?
The InChIKey is HNZLAUMKXMAIGJ-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H15N/c1-4-8-12-11-7-5-6-9(2)10(11)3/h5-8H,4H2,1-3H3/b12-8+.
What are the key properties of N-(2,3-dimethylphenyl)propan-1-imine?
N-(2,3-dimethylphenyl)propan-1-imine has a molecular weight of 161.25 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)propan-1-imine is sourced from PubChem (CID 139886218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).