O-(3-phenylpropyl)hydroxylamine;hydrochloride

C9H14ClNO — CID 3057075

IUPACO-(3-phenylpropyl)hydroxylamine;hydrochloride
SMILESCl.NOCCCc1ccccc1
InChIInChI=1S/C9H13NO.ClH/c10-11-8-4-7-9-5-2-1-3-6-9;/h1-3,5-6H,4,7-8,10H2;1H
InChIKeyFGFZOPSQLFBVLQ-UHFFFAOYSA-N
MW187.67 g/mol
LogP1.93
Rot. Bonds4

About O-(3-phenylpropyl)hydroxylamine;hydrochloride

O-(3-phenylpropyl)hydroxylamine;hydrochloride (PubChem CID 3057075) has the molecular formula C9H14ClNO and a molecular weight of 187.67 g/mol. Its IUPAC name is O-(3-phenylpropyl)hydroxylamine;hydrochloride.

Molecular Properties

Compound NameO-(3-phenylpropyl)hydroxylamine;hydrochloride
PubChem CID3057075
Molecular FormulaC9H14ClNO
Molecular Weight187.67 g/mol
Exact Mass187.08
IUPAC NameO-(3-phenylpropyl)hydroxylamine;hydrochloride
SMILESCl.NOCCCc1ccccc1
InChIInChI=1S/C9H13NO.ClH/c10-11-8-4-7-9-5-2-1-3-6-9;/h1-3,5-6H,4,7-8,10H2;1H
InChIKeyFGFZOPSQLFBVLQ-UHFFFAOYSA-N
XLogP1.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.67
LogP ≤ 51.93
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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Frequently Asked Questions

What is the IUPAC name of O-(3-phenylpropyl)hydroxylamine;hydrochloride?
The IUPAC name of O-(3-phenylpropyl)hydroxylamine;hydrochloride (CID 3057075) is O-(3-phenylpropyl)hydroxylamine;hydrochloride.
What is the SMILES notation for O-(3-phenylpropyl)hydroxylamine;hydrochloride?
The canonical SMILES for O-(3-phenylpropyl)hydroxylamine;hydrochloride is Cl.NOCCCc1ccccc1.
What is the InChIKey of O-(3-phenylpropyl)hydroxylamine;hydrochloride?
The InChIKey is FGFZOPSQLFBVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO.ClH/c10-11-8-4-7-9-5-2-1-3-6-9;/h1-3,5-6H,4,7-8,10H2;1H.
What are the key properties of O-(3-phenylpropyl)hydroxylamine;hydrochloride?
O-(3-phenylpropyl)hydroxylamine;hydrochloride has a molecular weight of 187.67 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-(3-phenylpropyl)hydroxylamine;hydrochloride is sourced from PubChem (CID 3057075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).