O-[2-(3-chloro-5-methylphenyl)ethyl]hydroxylamine

C9H12ClNO — CID 117280299

IUPACO-[2-(3-chloro-5-methylphenyl)ethyl]hydroxylamine
SMILESCc1cc(Cl)cc(CCON)c1
InChIInChI=1S/C9H12ClNO/c1-7-4-8(2-3-12-11)6-9(10)5-7/h4-6H,2-3,11H2,1H3
InChIKeyWVGLBPBLMPNIRP-UHFFFAOYSA-N
MW185.65 g/mol
LogP2.08
Rot. Bonds3

About O-[2-(3-chloro-5-methylphenyl)ethyl]hydroxylamine

O-[2-(3-chloro-5-methylphenyl)ethyl]hydroxylamine (PubChem CID 117280299) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is O-[2-(3-chloro-5-methylphenyl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(3-chloro-5-methylphenyl)ethyl]hydroxylamine
PubChem CID117280299
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC NameO-[2-(3-chloro-5-methylphenyl)ethyl]hydroxylamine
SMILESCc1cc(Cl)cc(CCON)c1
InChIInChI=1S/C9H12ClNO/c1-7-4-8(2-3-12-11)6-9(10)5-7/h4-6H,2-3,11H2,1H3
InChIKeyWVGLBPBLMPNIRP-UHFFFAOYSA-N
XLogP2.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

O-[(3-chloro-5-methylphenyl)methyl]hydroxylamine
CID 117276898
O-[2-(3-chloro-5-fluorophenyl)ethyl]hydroxylamine
CID 117281688
O-[2-(3-methoxy-5-methylphenyl)ethyl]hydroxylamine
CID 117278815
(2S)-4-(3-chloro-5-methylphenyl)butan-2-amine
CID 130649433
3-(3-chloro-5-methylphenyl)propan-1-amine
CID 83696794
1-chloro-3-methyl-5-(3-methylpentyl)benzene
CID 170769556
1-chloro-3-methyl-5-[2-(4-methylphenyl)ethyl]benzene;2-methylperoxyethanamine
CID 142875509
O-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]hydroxylamine
CID 83484617
1-(2-methoxyethyl)-3,5-dimethylbenzene
CID 145478416
O-[2-(2-fluoro-3,5-dimethylphenyl)ethyl]hydroxylamine
CID 117279513
1,3-dichloro-5-[2-(methoxymethoxy)ethyl]benzene
CID 169499898
(3-chloro-5-methylphenyl)-[4-(2-methoxyethyl)phenyl]methanamine
CID 81323781

Frequently Asked Questions

What is the IUPAC name of O-[2-(3-chloro-5-methylphenyl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(3-chloro-5-methylphenyl)ethyl]hydroxylamine (CID 117280299) is O-[2-(3-chloro-5-methylphenyl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(3-chloro-5-methylphenyl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(3-chloro-5-methylphenyl)ethyl]hydroxylamine is Cc1cc(Cl)cc(CCON)c1.
What is the InChIKey of O-[2-(3-chloro-5-methylphenyl)ethyl]hydroxylamine?
The InChIKey is WVGLBPBLMPNIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO/c1-7-4-8(2-3-12-11)6-9(10)5-7/h4-6H,2-3,11H2,1H3.
What are the key properties of O-[2-(3-chloro-5-methylphenyl)ethyl]hydroxylamine?
O-[2-(3-chloro-5-methylphenyl)ethyl]hydroxylamine has a molecular weight of 185.65 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(3-chloro-5-methylphenyl)ethyl]hydroxylamine is sourced from PubChem (CID 117280299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).