O-[(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)methyl]hydroxylamine

C12H16ClNO3 — CID 117397784

IUPACO-[(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)methyl]hydroxylamine
SMILESCOc1cc(Cl)cc(CON)c1OC1CCC1
InChIInChI=1S/C12H16ClNO3/c1-15-11-6-9(13)5-8(7-16-14)12(11)17-10-3-2-4-10/h5-6,10H,2-4,7,14H2,1H3
InChIKeyMXFOQXXMJHDBHY-UHFFFAOYSA-N
MW257.72 g/mol
LogP2.67
Rot. Bonds5

About O-[(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)methyl]hydroxylamine

O-[(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)methyl]hydroxylamine (PubChem CID 117397784) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is O-[(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)methyl]hydroxylamine
PubChem CID117397784
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC NameO-[(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)methyl]hydroxylamine
SMILESCOc1cc(Cl)cc(CON)c1OC1CCC1
InChIInChI=1S/C12H16ClNO3/c1-15-11-6-9(13)5-8(7-16-14)12(11)17-10-3-2-4-10/h5-6,10H,2-4,7,14H2,1H3
InChIKeyMXFOQXXMJHDBHY-UHFFFAOYSA-N
XLogP2.67
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 52.67
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

1-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)-N-methoxymethanamine
CID 117432330
O-[(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)methyl]hydroxylamine
CID 117432318
[5-chloro-3-methoxy-2-(oxan-4-yloxy)phenyl]methanamine
CID 104664075
1-[(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)methyl]piperazine
CID 117495714
2-amino-3-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)propanoic acid
CID 117498947
5-chloro-2-cyclobutyloxy-3-methoxyphenol
CID 84692205
4-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)butanoic acid
CID 117481287
(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)methanesulfonyl chloride
CID 117495921
5-chloro-2-cyclohexyloxy-3-methoxybenzoic acid
CID 113438795
O-[(5-chloro-2-methoxy-3-methylphenyl)methyl]hydroxylamine
CID 83700383
(E)-3-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)prop-2-en-1-amine
CID 117423212
1-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)cyclopentan-1-amine
CID 117494437

Frequently Asked Questions

What is the IUPAC name of O-[(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)methyl]hydroxylamine?
The IUPAC name of O-[(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)methyl]hydroxylamine (CID 117397784) is O-[(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)methyl]hydroxylamine.
What is the SMILES notation for O-[(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)methyl]hydroxylamine?
The canonical SMILES for O-[(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)methyl]hydroxylamine is COc1cc(Cl)cc(CON)c1OC1CCC1.
What is the InChIKey of O-[(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)methyl]hydroxylamine?
The InChIKey is MXFOQXXMJHDBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3/c1-15-11-6-9(13)5-8(7-16-14)12(11)17-10-3-2-4-10/h5-6,10H,2-4,7,14H2,1H3.
What are the key properties of O-[(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)methyl]hydroxylamine?
O-[(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)methyl]hydroxylamine has a molecular weight of 257.72 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)methyl]hydroxylamine is sourced from PubChem (CID 117397784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).