N-[2-chloro-1-(4-methylphenyl)ethylidene]hydroxylamine

C9H10ClNO — CID 85344533

IUPACN-[2-chloro-1-(4-methylphenyl)ethylidene]hydroxylamine
SMILESCc1ccc(C(CCl)=NO)cc1
InChIInChI=1S/C9H10ClNO/c1-7-2-4-8(5-3-7)9(6-10)11-12/h2-5,12H,6H2,1H3
InChIKeyJCTVAXHWKZYKBM-UHFFFAOYSA-N
MW183.64 g/mol
LogP2.41
Rot. Bonds2

About N-[2-chloro-1-(4-methylphenyl)ethylidene]hydroxylamine

N-[2-chloro-1-(4-methylphenyl)ethylidene]hydroxylamine (PubChem CID 85344533) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is N-[2-chloro-1-(4-methylphenyl)ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[2-chloro-1-(4-methylphenyl)ethylidene]hydroxylamine
PubChem CID85344533
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC NameN-[2-chloro-1-(4-methylphenyl)ethylidene]hydroxylamine
SMILESCc1ccc(C(CCl)=NO)cc1
InChIInChI=1S/C9H10ClNO/c1-7-2-4-8(5-3-7)9(6-10)11-12/h2-5,12H,6H2,1H3
InChIKeyJCTVAXHWKZYKBM-UHFFFAOYSA-N
XLogP2.41
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[2-chloro-1-(4-methylphenyl)ethylidene]hydroxylamine 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

N-[1-(4-methylphenyl)propylidene]hydroxylamine
CID 7174004
(NZ)-N-[2-chloro-1-(4-phenylphenyl)ethylidene]hydroxylamine
CID 125472574
(NZ)-N-(2-chloro-1-phenylethylidene)hydroxylamine
CID 139192653
(NE)-N-[1-(4-methylphenyl)butylidene]hydroxylamine
CID 12707912
(NE)-N-[2-ethylsulfonyl-1-(4-methylphenyl)ethylidene]hydroxylamine
CID 102550852
(NZ)-N-[4-methyl-1-(4-methylphenyl)pent-3-enylidene]hydroxylamine
CID 177415583
(NE)-N-[1-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylethylidene]hydroxylamine
CID 134852362
N-(2-chloro-1-phenylethylidene)-4-methylbenzenesulfonamide
CID 178184329
ethane;(NE)-N-[1-(4-methylphenyl)ethylidene]hydroxylamine
CID 172965019
N-[1-(4-chlorophenyl)propylidene]hydroxylamine
CID 74054167
N-[1-hydroxyimino-1-(4-methylphenyl)butan-2-ylidene]hydroxylamine
CID 135541210
4-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]phenol
CID 135629232

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-1-(4-methylphenyl)ethylidene]hydroxylamine?
The IUPAC name of N-[2-chloro-1-(4-methylphenyl)ethylidene]hydroxylamine (CID 85344533) is N-[2-chloro-1-(4-methylphenyl)ethylidene]hydroxylamine.
What is the SMILES notation for N-[2-chloro-1-(4-methylphenyl)ethylidene]hydroxylamine?
The canonical SMILES for N-[2-chloro-1-(4-methylphenyl)ethylidene]hydroxylamine is Cc1ccc(C(CCl)=NO)cc1.
What is the InChIKey of N-[2-chloro-1-(4-methylphenyl)ethylidene]hydroxylamine?
The InChIKey is JCTVAXHWKZYKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO/c1-7-2-4-8(5-3-7)9(6-10)11-12/h2-5,12H,6H2,1H3.
What are the key properties of N-[2-chloro-1-(4-methylphenyl)ethylidene]hydroxylamine?
N-[2-chloro-1-(4-methylphenyl)ethylidene]hydroxylamine has a molecular weight of 183.64 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-1-(4-methylphenyl)ethylidene]hydroxylamine is sourced from PubChem (CID 85344533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).