O-[2-[2-bromo-3-(cyclopropylmethoxy)phenyl]ethyl]hydroxylamine

C12H16BrNO2 — CID 117461107

IUPACO-[2-[2-bromo-3-(cyclopropylmethoxy)phenyl]ethyl]hydroxylamine
SMILESNOCCc1cccc(OCC2CC2)c1Br
InChIInChI=1S/C12H16BrNO2/c13-12-10(6-7-16-14)2-1-3-11(12)15-8-9-4-5-9/h1-3,9H,4-8,14H2
InChIKeySCVHLVZRBMHFQJ-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.67
Rot. Bonds6

About O-[2-[2-bromo-3-(cyclopropylmethoxy)phenyl]ethyl]hydroxylamine

O-[2-[2-bromo-3-(cyclopropylmethoxy)phenyl]ethyl]hydroxylamine (PubChem CID 117461107) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is O-[2-[2-bromo-3-(cyclopropylmethoxy)phenyl]ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-[2-bromo-3-(cyclopropylmethoxy)phenyl]ethyl]hydroxylamine
PubChem CID117461107
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC NameO-[2-[2-bromo-3-(cyclopropylmethoxy)phenyl]ethyl]hydroxylamine
SMILESNOCCc1cccc(OCC2CC2)c1Br
InChIInChI=1S/C12H16BrNO2/c13-12-10(6-7-16-14)2-1-3-11(12)15-8-9-4-5-9/h1-3,9H,4-8,14H2
InChIKeySCVHLVZRBMHFQJ-UHFFFAOYSA-N
XLogP2.67
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.67
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-[2-bromo-3-(cyclopropylmethoxy)phenyl]acetic acid
CID 117458882
4-[2-bromo-3-(cyclopropylmethoxy)phenyl]butanoic acid
CID 117498225
1-[2-bromo-3-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine
CID 117460987
2-bromo-1-(cyclopropylmethoxy)-3-methoxybenzene
CID 171373950
O-[2-[5-chloro-2-(cyclopropylmethoxy)phenyl]ethyl]hydroxylamine
CID 117356424
2-amino-1-[2-bromo-3-(cyclopropylmethoxy)phenyl]ethanol
CID 117460851
2-amino-2-[2-bromo-3-(cyclopropylmethoxy)phenyl]acetic acid
CID 117483105
2-bromo-1-chloro-3-(cyclohexylmethoxy)benzene
CID 156587194
O-[2-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]ethyl]hydroxylamine
CID 117343414
1-[1-[2-bromo-3-(cyclopropylmethoxy)phenyl]cyclopropyl]ethanamine
CID 117495028
1-(bromomethyl)-2-(cyclobutylmethoxy)benzene
CID 58083522
1-(bromomethyl)-2-(cyclopentylmethoxy)benzene
CID 61343019

Frequently Asked Questions

What is the IUPAC name of O-[2-[2-bromo-3-(cyclopropylmethoxy)phenyl]ethyl]hydroxylamine?
The IUPAC name of O-[2-[2-bromo-3-(cyclopropylmethoxy)phenyl]ethyl]hydroxylamine (CID 117461107) is O-[2-[2-bromo-3-(cyclopropylmethoxy)phenyl]ethyl]hydroxylamine.
What is the SMILES notation for O-[2-[2-bromo-3-(cyclopropylmethoxy)phenyl]ethyl]hydroxylamine?
The canonical SMILES for O-[2-[2-bromo-3-(cyclopropylmethoxy)phenyl]ethyl]hydroxylamine is NOCCc1cccc(OCC2CC2)c1Br.
What is the InChIKey of O-[2-[2-bromo-3-(cyclopropylmethoxy)phenyl]ethyl]hydroxylamine?
The InChIKey is SCVHLVZRBMHFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c13-12-10(6-7-16-14)2-1-3-11(12)15-8-9-4-5-9/h1-3,9H,4-8,14H2.
What are the key properties of O-[2-[2-bromo-3-(cyclopropylmethoxy)phenyl]ethyl]hydroxylamine?
O-[2-[2-bromo-3-(cyclopropylmethoxy)phenyl]ethyl]hydroxylamine has a molecular weight of 286.17 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-[2-bromo-3-(cyclopropylmethoxy)phenyl]ethyl]hydroxylamine is sourced from PubChem (CID 117461107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).