O-(4-chloro-2,5-dimethylphenyl)hydroxylamine

C8H10ClNO — CID 117273114

IUPACO-(4-chloro-2,5-dimethylphenyl)hydroxylamine
SMILESCc1cc(ON)c(C)cc1Cl
InChIInChI=1S/C8H10ClNO/c1-5-4-8(11-10)6(2)3-7(5)9/h3-4H,10H2,1-2H3
InChIKeyNTGAKGBXFCKBFT-UHFFFAOYSA-N
MW171.63 g/mol
LogP2.21
Rot. Bonds1

About O-(4-chloro-2,5-dimethylphenyl)hydroxylamine

O-(4-chloro-2,5-dimethylphenyl)hydroxylamine (PubChem CID 117273114) has the molecular formula C8H10ClNO and a molecular weight of 171.63 g/mol. Its IUPAC name is O-(4-chloro-2,5-dimethylphenyl)hydroxylamine.

Molecular Properties

Compound NameO-(4-chloro-2,5-dimethylphenyl)hydroxylamine
PubChem CID117273114
Molecular FormulaC8H10ClNO
Molecular Weight171.63 g/mol
Exact Mass171.05
IUPAC NameO-(4-chloro-2,5-dimethylphenyl)hydroxylamine
SMILESCc1cc(ON)c(C)cc1Cl
InChIInChI=1S/C8H10ClNO/c1-5-4-8(11-10)6(2)3-7(5)9/h3-4H,10H2,1-2H3
InChIKeyNTGAKGBXFCKBFT-UHFFFAOYSA-N
XLogP2.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze O-(4-chloro-2,5-dimethylphenyl)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-chloro-2,5-dimethylphenoxy)ethanamine
CID 84669181
O-(4-bromo-2,5-dimethylphenyl)hydroxylamine
CID 117273115
(2,5-dichloro-4-methylphenyl) carbamate
CID 175535955
1-chloro-5-methoxy-2,4-dimethylbenzene
CID 18683267
1,4-dichloro-2-ethoxy-5-methylbenzene
CID 18335146
1-chloro-5-methoxy-2,4-dimethylbenzene;ethane
CID 144758840
1,5-dichloro-2,4-dimethylbenzene
CID 4174838
1-chloro-5-(chloromethyl)-4-methoxy-2-methylbenzene
CID 82470034
amino-(5-chloro-2-methoxy-4-methylphenyl)methanethiol
CID 116939471
1-chloro-2-ethoxy-4-methoxy-5-methylbenzene
CID 71068382
1-chloro-5-iodo-4-methoxy-2-methylbenzene
CID 68934334
O-(2-chloro-3-methylphenyl)hydroxylamine;hydrochloride
CID 173447819

Frequently Asked Questions

What is the IUPAC name of O-(4-chloro-2,5-dimethylphenyl)hydroxylamine?
The IUPAC name of O-(4-chloro-2,5-dimethylphenyl)hydroxylamine (CID 117273114) is O-(4-chloro-2,5-dimethylphenyl)hydroxylamine.
What is the SMILES notation for O-(4-chloro-2,5-dimethylphenyl)hydroxylamine?
The canonical SMILES for O-(4-chloro-2,5-dimethylphenyl)hydroxylamine is Cc1cc(ON)c(C)cc1Cl.
What is the InChIKey of O-(4-chloro-2,5-dimethylphenyl)hydroxylamine?
The InChIKey is NTGAKGBXFCKBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO/c1-5-4-8(11-10)6(2)3-7(5)9/h3-4H,10H2,1-2H3.
What are the key properties of O-(4-chloro-2,5-dimethylphenyl)hydroxylamine?
O-(4-chloro-2,5-dimethylphenyl)hydroxylamine has a molecular weight of 171.63 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-(4-chloro-2,5-dimethylphenyl)hydroxylamine is sourced from PubChem (CID 117273114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).