O-(4-phenylbutyl)hydroxylamine

C10H15NO — CID 14998239

IUPACO-(4-phenylbutyl)hydroxylamine
SMILESNOCCCCc1ccccc1
InChIInChI=1S/C10H15NO/c11-12-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9,11H2
InChIKeyFHGONYXCMKZYRH-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.90
Rot. Bonds5

About O-(4-phenylbutyl)hydroxylamine

O-(4-phenylbutyl)hydroxylamine (PubChem CID 14998239) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is O-(4-phenylbutyl)hydroxylamine.

Molecular Properties

Compound NameO-(4-phenylbutyl)hydroxylamine
PubChem CID14998239
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC NameO-(4-phenylbutyl)hydroxylamine
SMILESNOCCCCc1ccccc1
InChIInChI=1S/C10H15NO/c11-12-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9,11H2
InChIKeyFHGONYXCMKZYRH-UHFFFAOYSA-N
XLogP1.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.90
H-Bond Donors ≤ 51
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'}

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Related Compounds

2-Phenylethanol
CID 6054
Benzenepropanol
CID 31234
Methyl phenethyl ether
CID 19089
5-Phenyl-1-pentanol
CID 61523
2-(3-Phenylpropyl)tetrahydrofuran
CID 62490
Benzyloxyamine hydrochloride
CID 102312
O-Benzylhydroxylamine
CID 102313
Hydroxylamine, O-((4-methylphenyl)methyl)-, hydrochloride (1:1)
CID 217575
Benzenebutanol
CID 76889
(3-Methoxy-2-methylpropyl)benzene
CID 22336876
2-(2-Phenylethyl)oxirane
CID 135955
6-Phenyl-1-hexanol
CID 520110

Frequently Asked Questions

What is the IUPAC name of O-(4-phenylbutyl)hydroxylamine?
The IUPAC name of O-(4-phenylbutyl)hydroxylamine (CID 14998239) is O-(4-phenylbutyl)hydroxylamine.
What is the SMILES notation for O-(4-phenylbutyl)hydroxylamine?
The canonical SMILES for O-(4-phenylbutyl)hydroxylamine is NOCCCCc1ccccc1.
What is the InChIKey of O-(4-phenylbutyl)hydroxylamine?
The InChIKey is FHGONYXCMKZYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c11-12-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9,11H2.
What are the key properties of O-(4-phenylbutyl)hydroxylamine?
O-(4-phenylbutyl)hydroxylamine has a molecular weight of 165.24 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-(4-phenylbutyl)hydroxylamine is sourced from PubChem (CID 14998239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).