(E)-N-chloro-3-(2-phenylethyl)cyclohexa-2,4-dien-1-imine

C14H14ClN — CID 52982839

IUPAC(E)-N-chloro-3-(2-phenylethyl)cyclohexa-2,4-dien-1-imine
SMILESCl/N=C1/C=C(CCc2ccccc2)C=CC1
InChIInChI=1S/C14H14ClN/c15-16-14-8-4-7-13(11-14)10-9-12-5-2-1-3-6-12/h1-7,11H,8-10H2/b16-14+
InChIKeyQLZQASIXNPIYQV-JQIJEIRASA-N
MW231.73 g/mol
LogP4.10
Rot. Bonds3

About (E)-N-chloro-3-(2-phenylethyl)cyclohexa-2,4-dien-1-imine

(E)-N-chloro-3-(2-phenylethyl)cyclohexa-2,4-dien-1-imine (PubChem CID 52982839) has the molecular formula C14H14ClN and a molecular weight of 231.73 g/mol. Its IUPAC name is (E)-N-chloro-3-(2-phenylethyl)cyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(E)-N-chloro-3-(2-phenylethyl)cyclohexa-2,4-dien-1-imine
PubChem CID52982839
Molecular FormulaC14H14ClN
Molecular Weight231.73 g/mol
Exact Mass231.08
IUPAC Name(E)-N-chloro-3-(2-phenylethyl)cyclohexa-2,4-dien-1-imine
SMILESCl/N=C1/C=C(CCc2ccccc2)C=CC1
InChIInChI=1S/C14H14ClN/c15-16-14-8-4-7-13(11-14)10-9-12-5-2-1-3-6-12/h1-7,11H,8-10H2/b16-14+
InChIKeyQLZQASIXNPIYQV-JQIJEIRASA-N
XLogP4.10
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.73
LogP ≤ 54.10
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

benzene;2-phenylethylbenzene
CID 18982764
2-cyclohexa-1,5-dien-1-ylethylbenzene;ethane
CID 143424026
hafnium;2-phenylethylbenzene
CID 173109801
alumane;2-phenylethylbenzene;hydrobromide
CID 173446278
6-methylidene-2-[2-(3-methylidenecyclohexa-1,5-dien-1-yl)ethyl]cyclohexa-1,3-diene
CID 136734752
ethane;methane;2-phenylethylbenzene
CID 158652330
2-methyl-4-(2-phenylethyl)benzoic acid
CID 71133874
(1Z)-N-hydroxy-2-[4-(2-phenylethyl)phenyl]ethanimidoyl chloride
CID 58076259
1-benzyl-4-[2-(4-benzylphenyl)ethyl]benzene
CID 23565947
(3,3-dichloro-5-phenylpentyl)benzene
CID 11033683
4-phenylbutylbenzene
CID 141301927
2-amino-4-(2-phenylethyl)cyclohexa-2,4-diene-1-carboxylic acid
CID 143291640

Frequently Asked Questions

What is the IUPAC name of (E)-N-chloro-3-(2-phenylethyl)cyclohexa-2,4-dien-1-imine?
The IUPAC name of (E)-N-chloro-3-(2-phenylethyl)cyclohexa-2,4-dien-1-imine (CID 52982839) is (E)-N-chloro-3-(2-phenylethyl)cyclohexa-2,4-dien-1-imine.
What is the SMILES notation for (E)-N-chloro-3-(2-phenylethyl)cyclohexa-2,4-dien-1-imine?
The canonical SMILES for (E)-N-chloro-3-(2-phenylethyl)cyclohexa-2,4-dien-1-imine is Cl/N=C1/C=C(CCc2ccccc2)C=CC1.
What is the InChIKey of (E)-N-chloro-3-(2-phenylethyl)cyclohexa-2,4-dien-1-imine?
The InChIKey is QLZQASIXNPIYQV-JQIJEIRASA-N. The full InChI is InChI=1S/C14H14ClN/c15-16-14-8-4-7-13(11-14)10-9-12-5-2-1-3-6-12/h1-7,11H,8-10H2/b16-14+.
What are the key properties of (E)-N-chloro-3-(2-phenylethyl)cyclohexa-2,4-dien-1-imine?
(E)-N-chloro-3-(2-phenylethyl)cyclohexa-2,4-dien-1-imine has a molecular weight of 231.73 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-chloro-3-(2-phenylethyl)cyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 52982839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).