N-[1-(4-chlorophenyl)propan-2-yl]hydroxylamine;hydrochloride

C9H13Cl2NO — CID 3042987

IUPACN-[1-(4-chlorophenyl)propan-2-yl]hydroxylamine;hydrochloride
SMILESCC(Cc1ccc(Cl)cc1)NO.Cl
InChIInChI=1S/C9H12ClNO.ClH/c1-7(11-12)6-8-2-4-9(10)5-3-8;/h2-5,7,11-12H,6H2,1H3;1H
InChIKeyOWELUZSNKVPUNI-UHFFFAOYSA-N
MW222.11 g/mol
LogP2.67
Rot. Bonds3

About N-[1-(4-chlorophenyl)propan-2-yl]hydroxylamine;hydrochloride

N-[1-(4-chlorophenyl)propan-2-yl]hydroxylamine;hydrochloride (PubChem CID 3042987) has the molecular formula C9H13Cl2NO and a molecular weight of 222.11 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)propan-2-yl]hydroxylamine;hydrochloride.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)propan-2-yl]hydroxylamine;hydrochloride
PubChem CID3042987
Molecular FormulaC9H13Cl2NO
Molecular Weight222.11 g/mol
Exact Mass221.04
IUPAC NameN-[1-(4-chlorophenyl)propan-2-yl]hydroxylamine;hydrochloride
SMILESCC(Cc1ccc(Cl)cc1)NO.Cl
InChIInChI=1S/C9H12ClNO.ClH/c1-7(11-12)6-8-2-4-9(10)5-3-8;/h2-5,7,11-12H,6H2,1H3;1H
InChIKeyOWELUZSNKVPUNI-UHFFFAOYSA-N
XLogP2.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.11
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)propan-2-yl]hydroxylamine;hydrochloride?
The IUPAC name of N-[1-(4-chlorophenyl)propan-2-yl]hydroxylamine;hydrochloride (CID 3042987) is N-[1-(4-chlorophenyl)propan-2-yl]hydroxylamine;hydrochloride.
What is the SMILES notation for N-[1-(4-chlorophenyl)propan-2-yl]hydroxylamine;hydrochloride?
The canonical SMILES for N-[1-(4-chlorophenyl)propan-2-yl]hydroxylamine;hydrochloride is CC(Cc1ccc(Cl)cc1)NO.Cl.
What is the InChIKey of N-[1-(4-chlorophenyl)propan-2-yl]hydroxylamine;hydrochloride?
The InChIKey is OWELUZSNKVPUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO.ClH/c1-7(11-12)6-8-2-4-9(10)5-3-8;/h2-5,7,11-12H,6H2,1H3;1H.
What are the key properties of N-[1-(4-chlorophenyl)propan-2-yl]hydroxylamine;hydrochloride?
N-[1-(4-chlorophenyl)propan-2-yl]hydroxylamine;hydrochloride has a molecular weight of 222.11 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)propan-2-yl]hydroxylamine;hydrochloride is sourced from PubChem (CID 3042987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).