N-(2-phenylethyl)ethenimine

C10H11N — CID 22722334

IUPACN-(2-phenylethyl)ethenimine
SMILESC=C=NCCc1ccccc1
InChIInChI=1S/C10H11N/c1-2-11-9-8-10-6-4-3-5-7-10/h3-7H,1,8-9H2
InChIKeyWIHCFPKHAPZQKS-UHFFFAOYSA-N
MW145.20 g/mol
LogP2.08
Rot. Bonds3

About N-(2-phenylethyl)ethenimine

N-(2-phenylethyl)ethenimine (PubChem CID 22722334) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is N-(2-phenylethyl)ethenimine.

Molecular Properties

Compound NameN-(2-phenylethyl)ethenimine
PubChem CID22722334
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC NameN-(2-phenylethyl)ethenimine
SMILESC=C=NCCc1ccccc1
InChIInChI=1S/C10H11N/c1-2-11-9-8-10-6-4-3-5-7-10/h3-7H,1,8-9H2
InChIKeyWIHCFPKHAPZQKS-UHFFFAOYSA-N
XLogP2.08
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 52.08
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

CID 164523807
CID 164523807
benzene;2-phenylethylbenzene
CID 18982764
N'-(4-bromophenyl)-N-(2-phenylethyl)methanediimine
CID 102168481
2-isocyanatoethylbenzene;1-isocyanatooctadecane
CID 157275379
hafnium;2-phenylethylbenzene
CID 173109801
N-benzyl-3-(ethenylideneamino)-N-methylpropane-1-sulfonamide
CID 144745149
4-phenylbutylbenzene
CID 141301927
alumane;2-phenylethylbenzene;hydrobromide
CID 173446278
azane;2-phenylethanamine
CID 23506485
(2R)-2-amino-3-sulfanylpropanoic acid;2-isothiocyanatoethylbenzene
CID 130226504
methane;4-phenylbutylbenzene
CID 173386802
hafnium;4-phenylbutylbenzene
CID 175889972

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)ethenimine?
The IUPAC name of N-(2-phenylethyl)ethenimine (CID 22722334) is N-(2-phenylethyl)ethenimine.
What is the SMILES notation for N-(2-phenylethyl)ethenimine?
The canonical SMILES for N-(2-phenylethyl)ethenimine is C=C=NCCc1ccccc1.
What is the InChIKey of N-(2-phenylethyl)ethenimine?
The InChIKey is WIHCFPKHAPZQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-2-11-9-8-10-6-4-3-5-7-10/h3-7H,1,8-9H2.
What are the key properties of N-(2-phenylethyl)ethenimine?
N-(2-phenylethyl)ethenimine has a molecular weight of 145.20 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)ethenimine is sourced from PubChem (CID 22722334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).