N-[3-(4-chlorophenyl)propyl]hydroxylamine

C9H12ClNO — CID 23199734

IUPACN-[3-(4-chlorophenyl)propyl]hydroxylamine
SMILESONCCCc1ccc(Cl)cc1
InChIInChI=1S/C9H12ClNO/c10-9-5-3-8(4-6-9)2-1-7-11-12/h3-6,11-12H,1-2,7H2
InChIKeyKDPUARXOXZWRHU-UHFFFAOYSA-N
MW185.65 g/mol
LogP2.25
Rot. Bonds4

About N-[3-(4-chlorophenyl)propyl]hydroxylamine

N-[3-(4-chlorophenyl)propyl]hydroxylamine (PubChem CID 23199734) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)propyl]hydroxylamine.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)propyl]hydroxylamine
PubChem CID23199734
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC NameN-[3-(4-chlorophenyl)propyl]hydroxylamine
SMILESONCCCc1ccc(Cl)cc1
InChIInChI=1S/C9H12ClNO/c10-9-5-3-8(4-6-9)2-1-7-11-12/h3-6,11-12H,1-2,7H2
InChIKeyKDPUARXOXZWRHU-UHFFFAOYSA-N
XLogP2.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[3-(4-chlorophenyl)propyl]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

3-(4-chlorophenyl)propylhydrazine
CID 53402686
N-(3-phenylpropyl)hydroxylamine;hydrobromide
CID 175175085
4-chloro-N-[3-(4-methoxyphenyl)propyl]aniline
CID 69045313
4-(4-chlorophenyl)-N-methylbutan-1-amine;molecular hydrogen
CID 158339832
N-[3-(4-aminophenyl)propyl]-2-(4-chlorophenyl)acetamide
CID 39426671
N-[3-(4-chlorophenyl)propyl]-2-(4-methylphenyl)acetamide
CID 38019898
6-chloro-N-[3-(4-chlorophenyl)propyl]pyrimidin-4-amine
CID 175661994
N,N'-bis[2-(4-chlorophenyl)ethyl]octane-1,8-diamine;dihydrobromide
CID 3029595
N,N'-bis[2-(4-chlorophenyl)ethyl]hexane-1,6-diamine;dihydrobromide
CID 3028564
N-[3-(4-chlorophenyl)propyl]-4-(methylamino)butanamide
CID 119764682
N-[3-(4-chlorophenyl)propyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 99999193
N-[3-(4-chlorophenyl)propyl]cyclopentanecarboxamide
CID 100733512

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)propyl]hydroxylamine?
The IUPAC name of N-[3-(4-chlorophenyl)propyl]hydroxylamine (CID 23199734) is N-[3-(4-chlorophenyl)propyl]hydroxylamine.
What is the SMILES notation for N-[3-(4-chlorophenyl)propyl]hydroxylamine?
The canonical SMILES for N-[3-(4-chlorophenyl)propyl]hydroxylamine is ONCCCc1ccc(Cl)cc1.
What is the InChIKey of N-[3-(4-chlorophenyl)propyl]hydroxylamine?
The InChIKey is KDPUARXOXZWRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO/c10-9-5-3-8(4-6-9)2-1-7-11-12/h3-6,11-12H,1-2,7H2.
What are the key properties of N-[3-(4-chlorophenyl)propyl]hydroxylamine?
N-[3-(4-chlorophenyl)propyl]hydroxylamine has a molecular weight of 185.65 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)propyl]hydroxylamine is sourced from PubChem (CID 23199734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).