2-phenyl-N-propan-2-ylethenimine

C11H13N — CID 10749479

IUPAC2-phenyl-N-propan-2-ylethenimine
SMILESCC(C)N=C=Cc1ccccc1
InChIInChI=1S/C11H13N/c1-10(2)12-9-8-11-6-4-3-5-7-11/h3-8,10H,1-2H3
InChIKeyOZRUHYMWYLPVTM-UHFFFAOYSA-N
MW159.23 g/mol
LogP2.78
Rot. Bonds2

About 2-phenyl-N-propan-2-ylethenimine

2-phenyl-N-propan-2-ylethenimine (PubChem CID 10749479) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-phenyl-N-propan-2-ylethenimine.

Molecular Properties

Compound Name2-phenyl-N-propan-2-ylethenimine
PubChem CID10749479
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name2-phenyl-N-propan-2-ylethenimine
SMILESCC(C)N=C=Cc1ccccc1
InChIInChI=1S/C11H13N/c1-10(2)12-9-8-11-6-4-3-5-7-11/h3-8,10H,1-2H3
InChIKeyOZRUHYMWYLPVTM-UHFFFAOYSA-N
XLogP2.78
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Methanamine, N-(phenylmethylene)-
CID 73954
2-Propanamine, N-(phenylmethylene)-
CID 95962
Phenylbutyl Isoselenocyanate
CID 25015746
Ethanamine, N-(phenylmethylene)-
CID 111239
3-Buten-2-amine, 4-phenyl-
CID 6442398
2-Methyl-N-(phenylmethylene)-2-propanamine
CID 111240
N-(diphenylethenylidene)methanamine
CID 596917
N-Benzylidenepropylamine
CID 250250
Amphetamine isothiocyanate
CID 85976
N,N-Dimethylcinnamylamine
CID 5473688
Butylamine, N-benzylidene-
CID 296031
(E)-5-phenylpent-4-en-2-amine
CID 55254237

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-propan-2-ylethenimine?
The IUPAC name of 2-phenyl-N-propan-2-ylethenimine (CID 10749479) is 2-phenyl-N-propan-2-ylethenimine.
What is the SMILES notation for 2-phenyl-N-propan-2-ylethenimine?
The canonical SMILES for 2-phenyl-N-propan-2-ylethenimine is CC(C)N=C=Cc1ccccc1.
What is the InChIKey of 2-phenyl-N-propan-2-ylethenimine?
The InChIKey is OZRUHYMWYLPVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-10(2)12-9-8-11-6-4-3-5-7-11/h3-8,10H,1-2H3.
What are the key properties of 2-phenyl-N-propan-2-ylethenimine?
2-phenyl-N-propan-2-ylethenimine has a molecular weight of 159.23 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-propan-2-ylethenimine is sourced from PubChem (CID 10749479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).