O-[2-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)ethyl]hydroxylamine

C12H16BrNO3 — CID 117486423

IUPACO-[2-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)ethyl]hydroxylamine
SMILESCOc1cc(Br)cc(CCON)c1OC1CC1
InChIInChI=1S/C12H16BrNO3/c1-15-11-7-9(13)6-8(4-5-16-14)12(11)17-10-2-3-10/h6-7,10H,2-5,14H2,1H3
InChIKeyXCXTWBTWEHYBEU-UHFFFAOYSA-N
MW302.17 g/mol
LogP2.43
Rot. Bonds6

About O-[2-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)ethyl]hydroxylamine

O-[2-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)ethyl]hydroxylamine (PubChem CID 117486423) has the molecular formula C12H16BrNO3 and a molecular weight of 302.17 g/mol. Its IUPAC name is O-[2-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)ethyl]hydroxylamine
PubChem CID117486423
Molecular FormulaC12H16BrNO3
Molecular Weight302.17 g/mol
Exact Mass301.03
IUPAC NameO-[2-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)ethyl]hydroxylamine
SMILESCOc1cc(Br)cc(CCON)c1OC1CC1
InChIInChI=1S/C12H16BrNO3/c1-15-11-7-9(13)6-8(4-5-16-14)12(11)17-10-2-3-10/h6-7,10H,2-5,14H2,1H3
InChIKeyXCXTWBTWEHYBEU-UHFFFAOYSA-N
XLogP2.43
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 52.43
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

3-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)propan-1-amine
CID 117483705
O-[2-(2-cyclobutyloxy-3-methoxyphenyl)ethyl]hydroxylamine
CID 117347185
O-[2-(5-bromo-3-chloro-2-methoxyphenyl)ethyl]hydroxylamine
CID 117450509
[1-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)cyclopropyl]methanamine
CID 117497040
5-bromo-2-cyclobutyloxy-3-methoxyphenol
CID 84713521
4-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)butan-1-amine
CID 117386233
O-[2-(5-bromo-2-ethoxy-4-methoxyphenyl)ethyl]hydroxylamine
CID 117468616
2-amino-1-(5-bromo-2-cyclobutyloxy-3-methoxyphenyl)ethanone
CID 117499384
O-[(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)methyl]hydroxylamine
CID 117397784
3-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)butanal
CID 117498254
O-[2-[5-(fluoromethyl)-2,3-dimethoxyphenyl]ethyl]hydroxylamine
CID 117330369
1-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)-2-methylpropan-2-amine
CID 117499689

Frequently Asked Questions

What is the IUPAC name of O-[2-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)ethyl]hydroxylamine (CID 117486423) is O-[2-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)ethyl]hydroxylamine is COc1cc(Br)cc(CCON)c1OC1CC1.
What is the InChIKey of O-[2-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)ethyl]hydroxylamine?
The InChIKey is XCXTWBTWEHYBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO3/c1-15-11-7-9(13)6-8(4-5-16-14)12(11)17-10-2-3-10/h6-7,10H,2-5,14H2,1H3.
What are the key properties of O-[2-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)ethyl]hydroxylamine?
O-[2-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)ethyl]hydroxylamine has a molecular weight of 302.17 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)ethyl]hydroxylamine is sourced from PubChem (CID 117486423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).