O-[2-(4-methoxy-1-methylindol-5-yl)ethyl]hydroxylamine

C12H16N2O2 — CID 117314447

IUPACO-[2-(4-methoxy-1-methylindol-5-yl)ethyl]hydroxylamine
SMILESCOc1c(CCON)ccc2c1ccn2C
InChIInChI=1S/C12H16N2O2/c1-14-7-5-10-11(14)4-3-9(6-8-16-13)12(10)15-2/h3-5,7H,6,8,13H2,1-2H3
InChIKeyQDYGXBKPBSXXHU-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.62
Rot. Bonds4

About O-[2-(4-methoxy-1-methylindol-5-yl)ethyl]hydroxylamine

O-[2-(4-methoxy-1-methylindol-5-yl)ethyl]hydroxylamine (PubChem CID 117314447) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is O-[2-(4-methoxy-1-methylindol-5-yl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(4-methoxy-1-methylindol-5-yl)ethyl]hydroxylamine
PubChem CID117314447
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameO-[2-(4-methoxy-1-methylindol-5-yl)ethyl]hydroxylamine
SMILESCOc1c(CCON)ccc2c1ccn2C
InChIInChI=1S/C12H16N2O2/c1-14-7-5-10-11(14)4-3-9(6-8-16-13)12(10)15-2/h3-5,7H,6,8,13H2,1-2H3
InChIKeyQDYGXBKPBSXXHU-UHFFFAOYSA-N
XLogP1.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.62
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

4-(4-methoxy-1-methylindol-5-yl)butan-1-amine
CID 117336846
O-[2-(5-methoxy-1-methylindol-4-yl)ethyl]hydroxylamine
CID 117314453
4-methoxy-1-methyl-5-(piperidin-4-ylmethyl)indole
CID 117399776
O-[2-[2,3-dimethoxy-4-(methoxymethyl)phenyl]ethyl]hydroxylamine
CID 117355228
O-[2-(3-fluoro-2-methoxy-4-methylphenyl)ethyl]hydroxylamine
CID 117288457
O-[(5-methoxy-1-methylindol-4-yl)methyl]hydroxylamine
CID 117294860
O-[2-(2,3-dimethoxyphenyl)ethyl]hydroxylamine
CID 83484924
O-[2-[2,4-dimethoxy-3-(methoxymethyl)phenyl]ethyl]hydroxylamine
CID 117355227
1-methyl-4-propylindole
CID 59939717
O-[2-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]ethyl]hydroxylamine
CID 117330362
O-[2-(2-methoxy-3-methylsulfanylphenyl)ethyl]hydroxylamine
CID 117304504
2-(4-fluoro-1-methylindol-5-yl)ethanamine
CID 96624175

Frequently Asked Questions

What is the IUPAC name of O-[2-(4-methoxy-1-methylindol-5-yl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(4-methoxy-1-methylindol-5-yl)ethyl]hydroxylamine (CID 117314447) is O-[2-(4-methoxy-1-methylindol-5-yl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(4-methoxy-1-methylindol-5-yl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(4-methoxy-1-methylindol-5-yl)ethyl]hydroxylamine is COc1c(CCON)ccc2c1ccn2C.
What is the InChIKey of O-[2-(4-methoxy-1-methylindol-5-yl)ethyl]hydroxylamine?
The InChIKey is QDYGXBKPBSXXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-14-7-5-10-11(14)4-3-9(6-8-16-13)12(10)15-2/h3-5,7H,6,8,13H2,1-2H3.
What are the key properties of O-[2-(4-methoxy-1-methylindol-5-yl)ethyl]hydroxylamine?
O-[2-(4-methoxy-1-methylindol-5-yl)ethyl]hydroxylamine has a molecular weight of 220.27 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(4-methoxy-1-methylindol-5-yl)ethyl]hydroxylamine is sourced from PubChem (CID 117314447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).