N-[(4-chloroanilino)methyl]hydroxylamine

C7H9ClN2O — CID 142989194

IUPACN-[(4-chloroanilino)methyl]hydroxylamine
SMILESONCNc1ccc(Cl)cc1
InChIInChI=1S/C7H9ClN2O/c8-6-1-3-7(4-2-6)9-5-10-11/h1-4,9-11H,5H2
InChIKeyYFXTVSJVQNKPIU-UHFFFAOYSA-N
MW172.62 g/mol
LogP1.69
Rot. Bonds3

About N-[(4-chloroanilino)methyl]hydroxylamine

N-[(4-chloroanilino)methyl]hydroxylamine (PubChem CID 142989194) has the molecular formula C7H9ClN2O and a molecular weight of 172.62 g/mol. Its IUPAC name is N-[(4-chloroanilino)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(4-chloroanilino)methyl]hydroxylamine
PubChem CID142989194
Molecular FormulaC7H9ClN2O
Molecular Weight172.62 g/mol
Exact Mass172.04
IUPAC NameN-[(4-chloroanilino)methyl]hydroxylamine
SMILESONCNc1ccc(Cl)cc1
InChIInChI=1S/C7H9ClN2O/c8-6-1-3-7(4-2-6)9-5-10-11/h1-4,9-11H,5H2
InChIKeyYFXTVSJVQNKPIU-UHFFFAOYSA-N
XLogP1.69
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.62
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(4-chloroanilino)methyl]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

2-(4-chloroanilino)acetamide
CID 22320740
[5-[(4-chloroanilino)methyl]furan-2-yl]methanol
CID 64578200
3-(4-chloroanilino)propane-1,2-diol
CID 76891534
N-(2-bromoethyl)-4-chloroaniline;hydrochloride
CID 21443144
4-[8-(4-chloroanilino)octylamino]benzoic acid
CID 57083445
N'-tert-butyl-N-(4-chlorophenyl)butane-1,4-diamine
CID 10879673
N'-(4-chlorophenyl)-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanediamine
CID 163488236
N-but-2-ynyl-4-chloroaniline
CID 54578604
N-[3-(4-chlorophenyl)propyl]hydroxylamine
CID 23199734
4-chloro-N-(3,3-dimethylbutyl)aniline
CID 63422383
4-chloro-N-(3-methylpentyl)aniline
CID 173121721
(2S)-3-(4-chloroanilino)-2-methylpropanoic acid
CID 93107526

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloroanilino)methyl]hydroxylamine?
The IUPAC name of N-[(4-chloroanilino)methyl]hydroxylamine (CID 142989194) is N-[(4-chloroanilino)methyl]hydroxylamine.
What is the SMILES notation for N-[(4-chloroanilino)methyl]hydroxylamine?
The canonical SMILES for N-[(4-chloroanilino)methyl]hydroxylamine is ONCNc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chloroanilino)methyl]hydroxylamine?
The InChIKey is YFXTVSJVQNKPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O/c8-6-1-3-7(4-2-6)9-5-10-11/h1-4,9-11H,5H2.
What are the key properties of N-[(4-chloroanilino)methyl]hydroxylamine?
N-[(4-chloroanilino)methyl]hydroxylamine has a molecular weight of 172.62 g/mol, XLogP of 1.69, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloroanilino)methyl]hydroxylamine is sourced from PubChem (CID 142989194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).