O-[2-(3-chloro-4-methoxy-5-methylsulfanylphenyl)ethyl]hydroxylamine

C10H14ClNO2S — CID 117372592

IUPACO-[2-(3-chloro-4-methoxy-5-methylsulfanylphenyl)ethyl]hydroxylamine
SMILESCOc1c(Cl)cc(CCON)cc1SC
InChIInChI=1S/C10H14ClNO2S/c1-13-10-8(11)5-7(3-4-14-12)6-9(10)15-2/h5-6H,3-4,12H2,1-2H3
InChIKeyDHNYUOMJBQBONO-UHFFFAOYSA-N
MW247.75 g/mol
LogP2.50
Rot. Bonds5

About O-[2-(3-chloro-4-methoxy-5-methylsulfanylphenyl)ethyl]hydroxylamine

O-[2-(3-chloro-4-methoxy-5-methylsulfanylphenyl)ethyl]hydroxylamine (PubChem CID 117372592) has the molecular formula C10H14ClNO2S and a molecular weight of 247.75 g/mol. Its IUPAC name is O-[2-(3-chloro-4-methoxy-5-methylsulfanylphenyl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(3-chloro-4-methoxy-5-methylsulfanylphenyl)ethyl]hydroxylamine
PubChem CID117372592
Molecular FormulaC10H14ClNO2S
Molecular Weight247.75 g/mol
Exact Mass247.04
IUPAC NameO-[2-(3-chloro-4-methoxy-5-methylsulfanylphenyl)ethyl]hydroxylamine
SMILESCOc1c(Cl)cc(CCON)cc1SC
InChIInChI=1S/C10H14ClNO2S/c1-13-10-8(11)5-7(3-4-14-12)6-9(10)15-2/h5-6H,3-4,12H2,1-2H3
InChIKeyDHNYUOMJBQBONO-UHFFFAOYSA-N
XLogP2.50
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

O-[2-(3-chloro-4-methoxy-5-methylsulfonylphenyl)ethyl]hydroxylamine
CID 117448848
O-[2-(3,5-difluoro-4-methoxyphenyl)ethyl]hydroxylamine
CID 117291293
O-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]hydroxylamine
CID 83484617
O-[2-(2-methoxy-3-methylsulfanylphenyl)ethyl]hydroxylamine
CID 117304504
2-amino-2-(3-chloro-4-methoxy-5-methylsulfanylphenyl)ethanol
CID 117372574
2-(2-aminooxyethyl)-5-chloro-6-methoxy-3-methylphenol
CID 117335463
1-amino-4-(3,5-dichloro-4-methoxyphenyl)butan-2-ol
CID 83928675
O-[2-(5-bromo-3-chloro-2-methoxyphenyl)ethyl]hydroxylamine
CID 117450509
2-methoxy-1,3-bis(methylsulfanyl)-5-octylbenzene
CID 15052387
1-(3-chloro-4-methoxy-5-methylsulfanylphenyl)ethanol
CID 117337308
2-[2-(3,5-dichloro-4-methoxyphenyl)ethyl]propane-1,3-diol
CID 83928638
O-[2-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)ethyl]hydroxylamine
CID 117403658

Frequently Asked Questions

What is the IUPAC name of O-[2-(3-chloro-4-methoxy-5-methylsulfanylphenyl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(3-chloro-4-methoxy-5-methylsulfanylphenyl)ethyl]hydroxylamine (CID 117372592) is O-[2-(3-chloro-4-methoxy-5-methylsulfanylphenyl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(3-chloro-4-methoxy-5-methylsulfanylphenyl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(3-chloro-4-methoxy-5-methylsulfanylphenyl)ethyl]hydroxylamine is COc1c(Cl)cc(CCON)cc1SC.
What is the InChIKey of O-[2-(3-chloro-4-methoxy-5-methylsulfanylphenyl)ethyl]hydroxylamine?
The InChIKey is DHNYUOMJBQBONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2S/c1-13-10-8(11)5-7(3-4-14-12)6-9(10)15-2/h5-6H,3-4,12H2,1-2H3.
What are the key properties of O-[2-(3-chloro-4-methoxy-5-methylsulfanylphenyl)ethyl]hydroxylamine?
O-[2-(3-chloro-4-methoxy-5-methylsulfanylphenyl)ethyl]hydroxylamine has a molecular weight of 247.75 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(3-chloro-4-methoxy-5-methylsulfanylphenyl)ethyl]hydroxylamine is sourced from PubChem (CID 117372592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).