2-chloro-1-phenylethanimine

C8H8ClN — CID 13240605

IUPAC2-chloro-1-phenylethanimine
SMILES[H]/N=C(\CCl)c1ccccc1
InChIInChI=1S/C8H8ClN/c9-6-8(10)7-4-2-1-3-5-7/h1-5,10H,6H2/b10-8+
InChIKeyCJEGMCIIFYPYGH-CSKARUKUSA-N
MW153.61 g/mol
LogP2.29
Rot. Bonds2

About 2-chloro-1-phenylethanimine

2-chloro-1-phenylethanimine (PubChem CID 13240605) has the molecular formula C8H8ClN and a molecular weight of 153.61 g/mol. Its IUPAC name is 2-chloro-1-phenylethanimine.

Molecular Properties

Compound Name2-chloro-1-phenylethanimine
PubChem CID13240605
Molecular FormulaC8H8ClN
Molecular Weight153.61 g/mol
Exact Mass153.03
IUPAC Name2-chloro-1-phenylethanimine
SMILES[H]/N=C(\CCl)c1ccccc1
InChIInChI=1S/C8H8ClN/c9-6-8(10)7-4-2-1-3-5-7/h1-5,10H,6H2/b10-8+
InChIKeyCJEGMCIIFYPYGH-CSKARUKUSA-N
XLogP2.29
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.61
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-1-phenylethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-nitro-1-phenylethanimine
CID 54520017
2-(2-imino-2-phenylethyl)benzoic acid
CID 91037866
1-phenyl-2-prop-2-enylsulfanylethanimine
CID 10655350
4-(2-imino-2-phenylethoxy)benzoic acid
CID 91226925
(Z)-6-imino-6-phenyl-4-(propan-2-ylamino)hex-3-en-2-one
CID 10444787
(4-imino-4-phenylbutan-2-yl) formate
CID 174425924
ethane;1-phenylethanimine
CID 91121262
benzenecarboximidamide;sulfane
CID 172701796
2-pent-4-en-2-yloxy-1-phenylethanimine
CID 155301968
1-phenyl-4-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)butan-1-imine
CID 10573468
(NZ)-N-(2-chloro-1-phenylethylidene)hydroxylamine
CID 139192653
benzenecarboximidamide;hydron;chloride
CID 66824376

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-phenylethanimine?
The IUPAC name of 2-chloro-1-phenylethanimine (CID 13240605) is 2-chloro-1-phenylethanimine.
What is the SMILES notation for 2-chloro-1-phenylethanimine?
The canonical SMILES for 2-chloro-1-phenylethanimine is [H]/N=C(\CCl)c1ccccc1.
What is the InChIKey of 2-chloro-1-phenylethanimine?
The InChIKey is CJEGMCIIFYPYGH-CSKARUKUSA-N. The full InChI is InChI=1S/C8H8ClN/c9-6-8(10)7-4-2-1-3-5-7/h1-5,10H,6H2/b10-8+.
What are the key properties of 2-chloro-1-phenylethanimine?
2-chloro-1-phenylethanimine has a molecular weight of 153.61 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-phenylethanimine is sourced from PubChem (CID 13240605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).