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

C11H14N2O2 — CID 117294860

IUPACO-[(5-methoxy-1-methylindol-4-yl)methyl]hydroxylamine
SMILESCOc1ccc2c(ccn2C)c1CON
InChIInChI=1S/C11H14N2O2/c1-13-6-5-8-9(7-15-12)11(14-2)4-3-10(8)13/h3-6H,7,12H2,1-2H3
InChIKeyQSODOPAJRQOFEU-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.58
Rot. Bonds3

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

O-[(5-methoxy-1-methylindol-4-yl)methyl]hydroxylamine (PubChem CID 117294860) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is O-[(5-methoxy-1-methylindol-4-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(5-methoxy-1-methylindol-4-yl)methyl]hydroxylamine
PubChem CID117294860
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC NameO-[(5-methoxy-1-methylindol-4-yl)methyl]hydroxylamine
SMILESCOc1ccc2c(ccn2C)c1CON
InChIInChI=1S/C11H14N2O2/c1-13-6-5-8-9(7-15-12)11(14-2)4-3-10(8)13/h3-6H,7,12H2,1-2H3
InChIKeyQSODOPAJRQOFEU-UHFFFAOYSA-N
XLogP1.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.58
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-[2-(5-methoxy-1-methylindol-4-yl)ethyl]hydroxylamine
CID 117314453
[1-(5-methoxy-1-methylindol-4-yl)cyclopentyl]methanamine
CID 117399804
O-[(3,6-dimethoxy-2-methylphenyl)methyl]hydroxylamine
CID 117286966
O-[2-(4-methoxy-1-methylindol-5-yl)ethyl]hydroxylamine
CID 117314447
1-[1-(5-methoxy-1-methylindol-4-yl)cyclopropyl]ethanamine
CID 117363094
(4-methoxy-1-methylindol-6-yl)methanamine
CID 82603456
O-[(3-bromo-6-methoxy-2-methylphenyl)methyl]hydroxylamine
CID 117366988
5-methoxy-1-methyl-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]indole
CID 70484601
4-chloro-5-ethoxy-1-methylindole
CID 126732659
4-(4-methoxy-1-methylindol-5-yl)butan-1-amine
CID 117336846
4-fluoro-1-methyl-5-phenylmethoxyindole
CID 71034305
O-[2-[2,4-dimethoxy-3-(methoxymethyl)phenyl]ethyl]hydroxylamine
CID 117355227

Frequently Asked Questions

What is the IUPAC name of O-[(5-methoxy-1-methylindol-4-yl)methyl]hydroxylamine?
The IUPAC name of O-[(5-methoxy-1-methylindol-4-yl)methyl]hydroxylamine (CID 117294860) is O-[(5-methoxy-1-methylindol-4-yl)methyl]hydroxylamine.
What is the SMILES notation for O-[(5-methoxy-1-methylindol-4-yl)methyl]hydroxylamine?
The canonical SMILES for O-[(5-methoxy-1-methylindol-4-yl)methyl]hydroxylamine is COc1ccc2c(ccn2C)c1CON.
What is the InChIKey of O-[(5-methoxy-1-methylindol-4-yl)methyl]hydroxylamine?
The InChIKey is QSODOPAJRQOFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-13-6-5-8-9(7-15-12)11(14-2)4-3-10(8)13/h3-6H,7,12H2,1-2H3.
What are the key properties of O-[(5-methoxy-1-methylindol-4-yl)methyl]hydroxylamine?
O-[(5-methoxy-1-methylindol-4-yl)methyl]hydroxylamine has a molecular weight of 206.24 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(5-methoxy-1-methylindol-4-yl)methyl]hydroxylamine is sourced from PubChem (CID 117294860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).