O-[[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]hydroxylamine

C12H17ClN2O2 — CID 117395405

IUPACO-[[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]hydroxylamine
SMILESCN1CCC(Oc2ccc(CON)cc2Cl)C1
InChIInChI=1S/C12H17ClN2O2/c1-15-5-4-10(7-15)17-12-3-2-9(8-16-14)6-11(12)13/h2-3,6,10H,4-5,7-8,14H2,1H3
InChIKeyNILXCTDPMHYTBY-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.81
Rot. Bonds4

About O-[[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]hydroxylamine

O-[[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]hydroxylamine (PubChem CID 117395405) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is O-[[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]hydroxylamine
PubChem CID117395405
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC NameO-[[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]hydroxylamine
SMILESCN1CCC(Oc2ccc(CON)cc2Cl)C1
InChIInChI=1S/C12H17ClN2O2/c1-15-5-4-10(7-15)17-12-3-2-9(8-16-14)6-11(12)13/h2-3,6,10H,4-5,7-8,14H2,1H3
InChIKeyNILXCTDPMHYTBY-UHFFFAOYSA-N
XLogP1.81
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.81
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

O-[[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]hydroxylamine
CID 117420170
O-[[3-chloro-4-(oxan-3-yloxy)phenyl]methyl]hydroxylamine
CID 117397789
2-amino-2-[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]ethanol
CID 117430111
3-chloro-4-(1-methylpyrrolidin-3-yl)oxybenzoic acid
CID 115005380
3-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]propan-1-amine
CID 115005357
2-[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]-2-oxoacetic acid
CID 117456013
4-chloro-3-[(3R)-1-methylpyrrolidin-3-yl]oxyaniline
CID 46942138
2-amino-2-[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]acetic acid
CID 117458481
3-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]propanal
CID 117387535
methyl 2-[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]-2-hydroxyacetate
CID 117482639
3-[2-chloro-4-[(3-chloro-4-cyclopentyloxyphenyl)methyl]phenoxy]pyrrolidine;3-[4-[(4-cyclopentyloxy-3-methylphenyl)methyl]-2-methylphenoxy]pyrrolidine;methane;1-methyl-3-[2-methyl-4-[[3-methyl-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]phenoxy]pyrrolidine
CID 161435196
3-(2-chloro-4-pyrrolidin-2-ylphenoxy)-1-methylpyrrolidine
CID 117450926

Frequently Asked Questions

What is the IUPAC name of O-[[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]hydroxylamine?
The IUPAC name of O-[[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]hydroxylamine (CID 117395405) is O-[[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]hydroxylamine.
What is the SMILES notation for O-[[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]hydroxylamine?
The canonical SMILES for O-[[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]hydroxylamine is CN1CCC(Oc2ccc(CON)cc2Cl)C1.
What is the InChIKey of O-[[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]hydroxylamine?
The InChIKey is NILXCTDPMHYTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-15-5-4-10(7-15)17-12-3-2-9(8-16-14)6-11(12)13/h2-3,6,10H,4-5,7-8,14H2,1H3.
What are the key properties of O-[[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]hydroxylamine?
O-[[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]hydroxylamine has a molecular weight of 256.73 g/mol, XLogP of 1.81, 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-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]hydroxylamine is sourced from PubChem (CID 117395405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).