O-[(3-chloro-4-propan-2-ylphenyl)methyl]hydroxylamine

C10H14ClNO — CID 117288927

IUPACO-[(3-chloro-4-propan-2-ylphenyl)methyl]hydroxylamine
SMILESCC(C)c1ccc(CON)cc1Cl
InChIInChI=1S/C10H14ClNO/c1-7(2)9-4-3-8(6-13-12)5-10(9)11/h3-5,7H,6,12H2,1-2H3
InChIKeyFRLYQXQJPFWKGZ-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.85
Rot. Bonds3

About O-[(3-chloro-4-propan-2-ylphenyl)methyl]hydroxylamine

O-[(3-chloro-4-propan-2-ylphenyl)methyl]hydroxylamine (PubChem CID 117288927) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is O-[(3-chloro-4-propan-2-ylphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(3-chloro-4-propan-2-ylphenyl)methyl]hydroxylamine
PubChem CID117288927
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC NameO-[(3-chloro-4-propan-2-ylphenyl)methyl]hydroxylamine
SMILESCC(C)c1ccc(CON)cc1Cl
InChIInChI=1S/C10H14ClNO/c1-7(2)9-4-3-8(6-13-12)5-10(9)11/h3-5,7H,6,12H2,1-2H3
InChIKeyFRLYQXQJPFWKGZ-UHFFFAOYSA-N
XLogP2.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze O-[(3-chloro-4-propan-2-ylphenyl)methyl]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

O-[(3,4-dichlorophenyl)methyl]hydroxylamine
CID 2764016
2-chloro-1-propan-2-yl-4-(propan-2-ylsulfonylmethyl)benzene
CID 162184316
4-but-3-ynyl-2-chloro-1-propan-2-ylbenzene
CID 146392410
O-[(4-butoxy-3-chlorophenyl)methyl]hydroxylamine
CID 13380966
5-(aminooxymethyl)-2-chlorophenol;hydrochloride
CID 172820191
4-(aminooxymethyl)-2-(1-fluoroethyl)phenol
CID 117280118
O-[[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]hydroxylamine
CID 117395405
(2S)-2-[(3,4-dichlorophenyl)methoxy]propan-1-amine
CID 95964233
O-[(5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenyl)methyl]hydroxylamine
CID 117361513
1-(4-butan-2-yl-3-chlorophenyl)propan-2-amine
CID 117324650
2-bromo-5-[(4-chloro-2-methyl-5-propan-2-ylphenoxy)methyl]aniline
CID 115557507
2-chloro-1-[1-(4-ethyl-3-propan-2-ylphenyl)propan-2-yl]-4-[(2-propan-2-ylphenoxy)methyl]benzene
CID 146252989

Frequently Asked Questions

What is the IUPAC name of O-[(3-chloro-4-propan-2-ylphenyl)methyl]hydroxylamine?
The IUPAC name of O-[(3-chloro-4-propan-2-ylphenyl)methyl]hydroxylamine (CID 117288927) is O-[(3-chloro-4-propan-2-ylphenyl)methyl]hydroxylamine.
What is the SMILES notation for O-[(3-chloro-4-propan-2-ylphenyl)methyl]hydroxylamine?
The canonical SMILES for O-[(3-chloro-4-propan-2-ylphenyl)methyl]hydroxylamine is CC(C)c1ccc(CON)cc1Cl.
What is the InChIKey of O-[(3-chloro-4-propan-2-ylphenyl)methyl]hydroxylamine?
The InChIKey is FRLYQXQJPFWKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-7(2)9-4-3-8(6-13-12)5-10(9)11/h3-5,7H,6,12H2,1-2H3.
What are the key properties of O-[(3-chloro-4-propan-2-ylphenyl)methyl]hydroxylamine?
O-[(3-chloro-4-propan-2-ylphenyl)methyl]hydroxylamine has a molecular weight of 199.68 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(3-chloro-4-propan-2-ylphenyl)methyl]hydroxylamine is sourced from PubChem (CID 117288927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).