O-[[3-chloro-4-(oxan-3-yloxy)phenyl]methyl]hydroxylamine

C12H16ClNO3 — CID 117397789

IUPACO-[[3-chloro-4-(oxan-3-yloxy)phenyl]methyl]hydroxylamine
SMILESNOCc1ccc(OC2CCCOC2)c(Cl)c1
InChIInChI=1S/C12H16ClNO3/c13-11-6-9(7-16-14)3-4-12(11)17-10-2-1-5-15-8-10/h3-4,6,10H,1-2,5,7-8,14H2
InChIKeyATWMARCEAPHEKH-UHFFFAOYSA-N
MW257.72 g/mol
LogP2.29
Rot. Bonds4

About O-[[3-chloro-4-(oxan-3-yloxy)phenyl]methyl]hydroxylamine

O-[[3-chloro-4-(oxan-3-yloxy)phenyl]methyl]hydroxylamine (PubChem CID 117397789) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is O-[[3-chloro-4-(oxan-3-yloxy)phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[[3-chloro-4-(oxan-3-yloxy)phenyl]methyl]hydroxylamine
PubChem CID117397789
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC NameO-[[3-chloro-4-(oxan-3-yloxy)phenyl]methyl]hydroxylamine
SMILESNOCc1ccc(OC2CCCOC2)c(Cl)c1
InChIInChI=1S/C12H16ClNO3/c13-11-6-9(7-16-14)3-4-12(11)17-10-2-1-5-15-8-10/h3-4,6,10H,1-2,5,7-8,14H2
InChIKeyATWMARCEAPHEKH-UHFFFAOYSA-N
XLogP2.29
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 52.29
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-chloro-4-(oxan-3-yloxy)aniline
CID 107134076
1-[3-chloro-4-(oxan-3-yloxy)phenyl]-N-methoxymethanamine
CID 117432335
[1-[3-chloro-4-(oxan-3-yloxy)phenyl]cyclopropyl]methanamine
CID 117452536
N-[[3-chloro-4-(oxolan-3-yloxy)phenyl]methyl]propan-2-amine
CID 63556375
3-[3-chloro-4-(oxolan-3-yloxy)phenyl]propan-1-amine
CID 115005382
O-[[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]hydroxylamine
CID 117395405
1-[3-chloro-4-(oxolan-3-yloxy)phenyl]-2-methylpropan-2-amine
CID 117427899
5-chloro-2-(oxan-3-yloxy)aniline
CID 107134074
1-[[3-chloro-4-(oxolan-3-yloxy)phenyl]methyl]cyclopropan-1-ol
CID 117425519
5-[3-chloro-4-(oxan-3-yloxy)phenyl]-1,2-oxazol-3-amine
CID 117475309
[3-bromo-4-(oxan-3-yloxy)phenyl]methanol
CID 107135061
2-[1-[3-chloro-4-(oxan-3-yloxy)phenyl]cyclopropyl]acetic acid
CID 117495625

Frequently Asked Questions

What is the IUPAC name of O-[[3-chloro-4-(oxan-3-yloxy)phenyl]methyl]hydroxylamine?
The IUPAC name of O-[[3-chloro-4-(oxan-3-yloxy)phenyl]methyl]hydroxylamine (CID 117397789) is O-[[3-chloro-4-(oxan-3-yloxy)phenyl]methyl]hydroxylamine.
What is the SMILES notation for O-[[3-chloro-4-(oxan-3-yloxy)phenyl]methyl]hydroxylamine?
The canonical SMILES for O-[[3-chloro-4-(oxan-3-yloxy)phenyl]methyl]hydroxylamine is NOCc1ccc(OC2CCCOC2)c(Cl)c1.
What is the InChIKey of O-[[3-chloro-4-(oxan-3-yloxy)phenyl]methyl]hydroxylamine?
The InChIKey is ATWMARCEAPHEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3/c13-11-6-9(7-16-14)3-4-12(11)17-10-2-1-5-15-8-10/h3-4,6,10H,1-2,5,7-8,14H2.
What are the key properties of O-[[3-chloro-4-(oxan-3-yloxy)phenyl]methyl]hydroxylamine?
O-[[3-chloro-4-(oxan-3-yloxy)phenyl]methyl]hydroxylamine has a molecular weight of 257.72 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[[3-chloro-4-(oxan-3-yloxy)phenyl]methyl]hydroxylamine is sourced from PubChem (CID 117397789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).