O-[1-amino-1-(4-chlorophenyl)propan-2-yl]hydroxylamine

C9H13ClN2O — CID 126599884

IUPACO-[1-amino-1-(4-chlorophenyl)propan-2-yl]hydroxylamine
SMILESCC(ON)C(N)c1ccc(Cl)cc1
InChIInChI=1S/C9H13ClN2O/c1-6(13-12)9(11)7-2-4-8(10)5-3-7/h2-6,9H,11-12H2,1H3
InChIKeyJCOKIMVQHJVHPC-UHFFFAOYSA-N
MW200.67 g/mol
LogP1.62
Rot. Bonds3

About O-[1-amino-1-(4-chlorophenyl)propan-2-yl]hydroxylamine

O-[1-amino-1-(4-chlorophenyl)propan-2-yl]hydroxylamine (PubChem CID 126599884) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is O-[1-amino-1-(4-chlorophenyl)propan-2-yl]hydroxylamine.

Molecular Properties

Compound NameO-[1-amino-1-(4-chlorophenyl)propan-2-yl]hydroxylamine
PubChem CID126599884
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC NameO-[1-amino-1-(4-chlorophenyl)propan-2-yl]hydroxylamine
SMILESCC(ON)C(N)c1ccc(Cl)cc1
InChIInChI=1S/C9H13ClN2O/c1-6(13-12)9(11)7-2-4-8(10)5-3-7/h2-6,9H,11-12H2,1H3
InChIKeyJCOKIMVQHJVHPC-UHFFFAOYSA-N
XLogP1.62
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-amino-1-(4-chlorophenyl)propan-2-ol
CID 130676173
(1S,2R)-1-amino-1-(4-chlorophenyl)-3-methylbutan-2-ol
CID 131000817
(1S)-1-(4-chlorophenyl)-2,2-difluoroethanamine;hydrochloride
CID 121438908
1-(4-chlorophenyl)-3,3-dimethylbutane-1,2-diamine
CID 69494037
(1S)-1-(4-chlorophenyl)-2,2-diethoxyethanamine
CID 162516854
(2S)-3-amino-3-(4-chlorophenyl)-2-methylpropanoic acid
CID 156800867
1-(4-chlorophenyl)-2-methoxy-3,3-dimethylbutan-1-amine
CID 116724174
(1S,2R)-1,2-bis(4-chlorophenyl)-N'-methylethane-1,2-diamine
CID 67126047
1-(4-chlorophenyl)-2-(4-ethynylphenyl)ethane-1,2-diamine
CID 22996221
1-(4-chlorophenyl)-1-methoxypropan-2-amine
CID 54594037
1-(4-chlorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
CID 103309498
1-(4-chlorophenyl)-1-(4-methylpentan-2-yloxy)propan-2-amine
CID 55015060

Frequently Asked Questions

What is the IUPAC name of O-[1-amino-1-(4-chlorophenyl)propan-2-yl]hydroxylamine?
The IUPAC name of O-[1-amino-1-(4-chlorophenyl)propan-2-yl]hydroxylamine (CID 126599884) is O-[1-amino-1-(4-chlorophenyl)propan-2-yl]hydroxylamine.
What is the SMILES notation for O-[1-amino-1-(4-chlorophenyl)propan-2-yl]hydroxylamine?
The canonical SMILES for O-[1-amino-1-(4-chlorophenyl)propan-2-yl]hydroxylamine is CC(ON)C(N)c1ccc(Cl)cc1.
What is the InChIKey of O-[1-amino-1-(4-chlorophenyl)propan-2-yl]hydroxylamine?
The InChIKey is JCOKIMVQHJVHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O/c1-6(13-12)9(11)7-2-4-8(10)5-3-7/h2-6,9H,11-12H2,1H3.
What are the key properties of O-[1-amino-1-(4-chlorophenyl)propan-2-yl]hydroxylamine?
O-[1-amino-1-(4-chlorophenyl)propan-2-yl]hydroxylamine has a molecular weight of 200.67 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[1-amino-1-(4-chlorophenyl)propan-2-yl]hydroxylamine is sourced from PubChem (CID 126599884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).