O-[2-[3-bromo-5-chloro-4-(methoxymethyl)phenyl]ethyl]hydroxylamine

C10H13BrClNO2 — CID 117475178

IUPACO-[2-[3-bromo-5-chloro-4-(methoxymethyl)phenyl]ethyl]hydroxylamine
SMILESCOCc1c(Cl)cc(CCON)cc1Br
InChIInChI=1S/C10H13BrClNO2/c1-14-6-8-9(11)4-7(2-3-15-13)5-10(8)12/h4-5H,2-3,6,13H2,1H3
InChIKeyVTTCKXKXASAXQD-UHFFFAOYSA-N
MW294.58 g/mol
LogP2.68
Rot. Bonds5

About O-[2-[3-bromo-5-chloro-4-(methoxymethyl)phenyl]ethyl]hydroxylamine

O-[2-[3-bromo-5-chloro-4-(methoxymethyl)phenyl]ethyl]hydroxylamine (PubChem CID 117475178) has the molecular formula C10H13BrClNO2 and a molecular weight of 294.58 g/mol. Its IUPAC name is O-[2-[3-bromo-5-chloro-4-(methoxymethyl)phenyl]ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-[3-bromo-5-chloro-4-(methoxymethyl)phenyl]ethyl]hydroxylamine
PubChem CID117475178
Molecular FormulaC10H13BrClNO2
Molecular Weight294.58 g/mol
Exact Mass292.98
IUPAC NameO-[2-[3-bromo-5-chloro-4-(methoxymethyl)phenyl]ethyl]hydroxylamine
SMILESCOCc1c(Cl)cc(CCON)cc1Br
InChIInChI=1S/C10H13BrClNO2/c1-14-6-8-9(11)4-7(2-3-15-13)5-10(8)12/h4-5H,2-3,6,13H2,1H3
InChIKeyVTTCKXKXASAXQD-UHFFFAOYSA-N
XLogP2.68
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.58
LogP ≤ 52.68
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

O-[2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]ethyl]hydroxylamine
CID 117339599
2-[3-bromo-5-chloro-4-(methoxymethyl)phenyl]propan-1-amine
CID 117472556
O-[2-(3-chloro-4-methoxy-5-methylsulfanylphenyl)ethyl]hydroxylamine
CID 117372592
O-[2-(3-chloro-4-methoxy-5-methylsulfonylphenyl)ethyl]hydroxylamine
CID 117448848
O-[2-(3-chloro-5-methylphenyl)ethyl]hydroxylamine
CID 117280299
2-(3-bromo-5-chloro-4-hydroxyphenyl)ethyl acetate
CID 142764458
O-[2-(4-chloro-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hydroxylamine
CID 117324460
O-[2-[3,6-dimethoxy-2-(methoxymethyl)phenyl]ethyl]hydroxylamine
CID 117355268
O-[2-[3-fluoro-4-(methoxymethyl)phenyl]ethyl]hydroxylamine
CID 117288473
O-[2-(5-bromo-3-chloro-2-methoxyphenyl)ethyl]hydroxylamine
CID 117450509
2-[3-bromo-5-chloro-4-(methoxymethyl)phenyl]pyrrolidine
CID 117490026
O-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]hydroxylamine
CID 83484617

Frequently Asked Questions

What is the IUPAC name of O-[2-[3-bromo-5-chloro-4-(methoxymethyl)phenyl]ethyl]hydroxylamine?
The IUPAC name of O-[2-[3-bromo-5-chloro-4-(methoxymethyl)phenyl]ethyl]hydroxylamine (CID 117475178) is O-[2-[3-bromo-5-chloro-4-(methoxymethyl)phenyl]ethyl]hydroxylamine.
What is the SMILES notation for O-[2-[3-bromo-5-chloro-4-(methoxymethyl)phenyl]ethyl]hydroxylamine?
The canonical SMILES for O-[2-[3-bromo-5-chloro-4-(methoxymethyl)phenyl]ethyl]hydroxylamine is COCc1c(Cl)cc(CCON)cc1Br.
What is the InChIKey of O-[2-[3-bromo-5-chloro-4-(methoxymethyl)phenyl]ethyl]hydroxylamine?
The InChIKey is VTTCKXKXASAXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClNO2/c1-14-6-8-9(11)4-7(2-3-15-13)5-10(8)12/h4-5H,2-3,6,13H2,1H3.
What are the key properties of O-[2-[3-bromo-5-chloro-4-(methoxymethyl)phenyl]ethyl]hydroxylamine?
O-[2-[3-bromo-5-chloro-4-(methoxymethyl)phenyl]ethyl]hydroxylamine has a molecular weight of 294.58 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-[3-bromo-5-chloro-4-(methoxymethyl)phenyl]ethyl]hydroxylamine is sourced from PubChem (CID 117475178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).