2-methyl-3-(2-methylphenyl)propan-1-imine

C11H15N — CID 123215278

IUPAC2-methyl-3-(2-methylphenyl)propan-1-imine
SMILES[H]/N=C/C(C)Cc1ccccc1C
InChIInChI=1S/C11H15N/c1-9(8-12)7-11-6-4-3-5-10(11)2/h3-6,8-9,12H,7H2,1-2H3/b12-8+
InChIKeyPDWSVZDZWRHQRJ-XYOKQWHBSA-N
MW161.25 g/mol
LogP2.82
Rot. Bonds3

About 2-methyl-3-(2-methylphenyl)propan-1-imine

2-methyl-3-(2-methylphenyl)propan-1-imine (PubChem CID 123215278) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 2-methyl-3-(2-methylphenyl)propan-1-imine.

Molecular Properties

Compound Name2-methyl-3-(2-methylphenyl)propan-1-imine
PubChem CID123215278
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name2-methyl-3-(2-methylphenyl)propan-1-imine
SMILES[H]/N=C/C(C)Cc1ccccc1C
InChIInChI=1S/C11H15N/c1-9(8-12)7-11-6-4-3-5-10(11)2/h3-6,8-9,12H,7H2,1-2H3/b12-8+
InChIKeyPDWSVZDZWRHQRJ-XYOKQWHBSA-N
XLogP2.82
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1-[2-bromo-4-(2-methylphenyl)butyl]-2-methylbenzene
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methylphenyl)propan-1-imine?
The IUPAC name of 2-methyl-3-(2-methylphenyl)propan-1-imine (CID 123215278) is 2-methyl-3-(2-methylphenyl)propan-1-imine.
What is the SMILES notation for 2-methyl-3-(2-methylphenyl)propan-1-imine?
The canonical SMILES for 2-methyl-3-(2-methylphenyl)propan-1-imine is [H]/N=C/C(C)Cc1ccccc1C.
What is the InChIKey of 2-methyl-3-(2-methylphenyl)propan-1-imine?
The InChIKey is PDWSVZDZWRHQRJ-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H15N/c1-9(8-12)7-11-6-4-3-5-10(11)2/h3-6,8-9,12H,7H2,1-2H3/b12-8+.
What are the key properties of 2-methyl-3-(2-methylphenyl)propan-1-imine?
2-methyl-3-(2-methylphenyl)propan-1-imine has a molecular weight of 161.25 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylphenyl)propan-1-imine is sourced from PubChem (CID 123215278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).