N-[1-(4-chlorophenyl)ethyl]hydroxylamine

C8H10ClNO — CID 55269441

IUPACN-[1-(4-chlorophenyl)ethyl]hydroxylamine
SMILESCC(NO)c1ccc(Cl)cc1
InChIInChI=1S/C8H10ClNO/c1-6(10-11)7-2-4-8(9)5-3-7/h2-6,10-11H,1H3
InChIKeyJCXJKHXJTHJRAC-UHFFFAOYSA-N
MW171.63 g/mol
LogP2.38
Rot. Bonds2

About N-[1-(4-chlorophenyl)ethyl]hydroxylamine

N-[1-(4-chlorophenyl)ethyl]hydroxylamine (PubChem CID 55269441) has the molecular formula C8H10ClNO and a molecular weight of 171.63 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]hydroxylamine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]hydroxylamine
PubChem CID55269441
Molecular FormulaC8H10ClNO
Molecular Weight171.63 g/mol
Exact Mass171.05
IUPAC NameN-[1-(4-chlorophenyl)ethyl]hydroxylamine
SMILESCC(NO)c1ccc(Cl)cc1
InChIInChI=1S/C8H10ClNO/c1-6(10-11)7-2-4-8(9)5-3-7/h2-6,10-11H,1H3
InChIKeyJCXJKHXJTHJRAC-UHFFFAOYSA-N
XLogP2.38
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[1-(4-chlorophenyl)ethyl]hydroxylamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]hydroxylamine?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]hydroxylamine (CID 55269441) is N-[1-(4-chlorophenyl)ethyl]hydroxylamine.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]hydroxylamine?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]hydroxylamine is CC(NO)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]hydroxylamine?
The InChIKey is JCXJKHXJTHJRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO/c1-6(10-11)7-2-4-8(9)5-3-7/h2-6,10-11H,1H3.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]hydroxylamine?
N-[1-(4-chlorophenyl)ethyl]hydroxylamine has a molecular weight of 171.63 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]hydroxylamine is sourced from PubChem (CID 55269441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).