O-[2-(3-chloro-1-methylindol-4-yl)ethyl]hydroxylamine

C11H13ClN2O — CID 117322623

IUPACO-[2-(3-chloro-1-methylindol-4-yl)ethyl]hydroxylamine
SMILESCn1cc(Cl)c2c(CCON)cccc21
InChIInChI=1S/C11H13ClN2O/c1-14-7-9(12)11-8(5-6-15-13)3-2-4-10(11)14/h2-4,7H,5-6,13H2,1H3
InChIKeyNTVNDXFVSRZRKP-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.26
Rot. Bonds3

About O-[2-(3-chloro-1-methylindol-4-yl)ethyl]hydroxylamine

O-[2-(3-chloro-1-methylindol-4-yl)ethyl]hydroxylamine (PubChem CID 117322623) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is O-[2-(3-chloro-1-methylindol-4-yl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(3-chloro-1-methylindol-4-yl)ethyl]hydroxylamine
PubChem CID117322623
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC NameO-[2-(3-chloro-1-methylindol-4-yl)ethyl]hydroxylamine
SMILESCn1cc(Cl)c2c(CCON)cccc21
InChIInChI=1S/C11H13ClN2O/c1-14-7-9(12)11-8(5-6-15-13)3-2-4-10(11)14/h2-4,7H,5-6,13H2,1H3
InChIKeyNTVNDXFVSRZRKP-UHFFFAOYSA-N
XLogP2.26
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.26
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

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3-chloro-1-methyl-4-(piperidin-2-ylmethyl)indole
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ethyl 2-(3-chloro-1-methylindol-4-yl)-2-oxoacetate
CID 117418386
4-chloro-3-(iodomethyl)-1-methylindole;N,N-dimethylmethanamine
CID 69427691
O-[(3-chloro-1-methylindol-7-yl)methyl]hydroxylamine
CID 117300853
1-(3-chloro-1-methylindol-4-yl)ethanol
CID 84677358
O-[2-(3-chloro-2H-indazol-4-yl)ethyl]hydroxylamine
CID 117302285
2-(1,3-dimethylindol-4-yl)-N-methylethanamine
CID 117204456
(3-ethyl-1-methylindol-4-yl)methanamine
CID 115017614
2-(1-methyl-3-nitroindol-4-yl)ethanamine
CID 83888685

Frequently Asked Questions

What is the IUPAC name of O-[2-(3-chloro-1-methylindol-4-yl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(3-chloro-1-methylindol-4-yl)ethyl]hydroxylamine (CID 117322623) is O-[2-(3-chloro-1-methylindol-4-yl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(3-chloro-1-methylindol-4-yl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(3-chloro-1-methylindol-4-yl)ethyl]hydroxylamine is Cn1cc(Cl)c2c(CCON)cccc21.
What is the InChIKey of O-[2-(3-chloro-1-methylindol-4-yl)ethyl]hydroxylamine?
The InChIKey is NTVNDXFVSRZRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-14-7-9(12)11-8(5-6-15-13)3-2-4-10(11)14/h2-4,7H,5-6,13H2,1H3.
What are the key properties of O-[2-(3-chloro-1-methylindol-4-yl)ethyl]hydroxylamine?
O-[2-(3-chloro-1-methylindol-4-yl)ethyl]hydroxylamine has a molecular weight of 224.69 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(3-chloro-1-methylindol-4-yl)ethyl]hydroxylamine is sourced from PubChem (CID 117322623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).