N-phenylpropan-2-imine

C9H11N — CID 11083930

IUPACN-phenylpropan-2-imine
SMILESCC(C)=Nc1ccccc1
InChIInChI=1S/C9H11N/c1-8(2)10-9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKeyYEYCASGOSICVMZ-UHFFFAOYSA-N
MW133.19 g/mol
LogP2.80
Rot. Bonds1

About N-phenylpropan-2-imine

N-phenylpropan-2-imine (PubChem CID 11083930) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is N-phenylpropan-2-imine.

Molecular Properties

Compound NameN-phenylpropan-2-imine
PubChem CID11083930
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC NameN-phenylpropan-2-imine
SMILESCC(C)=Nc1ccccc1
InChIInChI=1S/C9H11N/c1-8(2)10-9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKeyYEYCASGOSICVMZ-UHFFFAOYSA-N
XLogP2.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 52.80
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-phenylpropan-2-imine?
The IUPAC name of N-phenylpropan-2-imine (CID 11083930) is N-phenylpropan-2-imine.
What is the SMILES notation for N-phenylpropan-2-imine?
The canonical SMILES for N-phenylpropan-2-imine is CC(C)=Nc1ccccc1.
What is the InChIKey of N-phenylpropan-2-imine?
The InChIKey is YEYCASGOSICVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N/c1-8(2)10-9-6-4-3-5-7-9/h3-7H,1-2H3.
What are the key properties of N-phenylpropan-2-imine?
N-phenylpropan-2-imine has a molecular weight of 133.19 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylpropan-2-imine is sourced from PubChem (CID 11083930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).