O-[2-(2-chloro-3-methoxy-4-methylphenyl)ethyl]hydroxylamine

C10H14ClNO2 — CID 117307430

IUPACO-[2-(2-chloro-3-methoxy-4-methylphenyl)ethyl]hydroxylamine
SMILESCOc1c(C)ccc(CCON)c1Cl
InChIInChI=1S/C10H14ClNO2/c1-7-3-4-8(5-6-14-12)9(11)10(7)13-2/h3-4H,5-6,12H2,1-2H3
InChIKeyRQQWROHWRLQEDI-UHFFFAOYSA-N
MW215.68 g/mol
LogP2.09
Rot. Bonds4

About O-[2-(2-chloro-3-methoxy-4-methylphenyl)ethyl]hydroxylamine

O-[2-(2-chloro-3-methoxy-4-methylphenyl)ethyl]hydroxylamine (PubChem CID 117307430) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is O-[2-(2-chloro-3-methoxy-4-methylphenyl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(2-chloro-3-methoxy-4-methylphenyl)ethyl]hydroxylamine
PubChem CID117307430
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC NameO-[2-(2-chloro-3-methoxy-4-methylphenyl)ethyl]hydroxylamine
SMILESCOc1c(C)ccc(CCON)c1Cl
InChIInChI=1S/C10H14ClNO2/c1-7-3-4-8(5-6-14-12)9(11)10(7)13-2/h3-4H,5-6,12H2,1-2H3
InChIKeyRQQWROHWRLQEDI-UHFFFAOYSA-N
XLogP2.09
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-chloro-3-methoxy-4-methylphenyl)methanamine
CID 83828901
O-[2-(3-fluoro-2-methoxy-4-methylphenyl)ethyl]hydroxylamine
CID 117288457
O-[2-[2,3-dimethoxy-4-(methoxymethyl)phenyl]ethyl]hydroxylamine
CID 117355228
O-[(3-chloro-2,4-dimethoxy-5-methylphenyl)methyl]hydroxylamine
CID 117335488
O-[2-(2,3-dimethoxyphenyl)ethyl]hydroxylamine
CID 83484924
3-(2-aminooxyethyl)-2,6-dimethylphenol
CID 117278817
O-[2-(2-fluoro-3,4-dimethoxy-5-methylphenyl)ethyl]hydroxylamine
CID 117330365
3-(2-chloro-3-methoxy-4-methylphenyl)-2,2-dimethylpropanoic acid
CID 117395239
O-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]hydroxylamine
CID 83484617
6-(2-aminooxyethyl)-3-fluoro-2-methoxyphenol
CID 117289866
2-(2-aminooxyethyl)-5-chloro-6-methoxy-3-methylphenol
CID 117335463
O-[2-(5-bromo-3-chloro-2-methoxyphenyl)ethyl]hydroxylamine
CID 117450509

Frequently Asked Questions

What is the IUPAC name of O-[2-(2-chloro-3-methoxy-4-methylphenyl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(2-chloro-3-methoxy-4-methylphenyl)ethyl]hydroxylamine (CID 117307430) is O-[2-(2-chloro-3-methoxy-4-methylphenyl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(2-chloro-3-methoxy-4-methylphenyl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(2-chloro-3-methoxy-4-methylphenyl)ethyl]hydroxylamine is COc1c(C)ccc(CCON)c1Cl.
What is the InChIKey of O-[2-(2-chloro-3-methoxy-4-methylphenyl)ethyl]hydroxylamine?
The InChIKey is RQQWROHWRLQEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2/c1-7-3-4-8(5-6-14-12)9(11)10(7)13-2/h3-4H,5-6,12H2,1-2H3.
What are the key properties of O-[2-(2-chloro-3-methoxy-4-methylphenyl)ethyl]hydroxylamine?
O-[2-(2-chloro-3-methoxy-4-methylphenyl)ethyl]hydroxylamine has a molecular weight of 215.68 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(2-chloro-3-methoxy-4-methylphenyl)ethyl]hydroxylamine is sourced from PubChem (CID 117307430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).