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

C12H16N2O2 — CID 117314453

IUPACO-[2-(5-methoxy-1-methylindol-4-yl)ethyl]hydroxylamine
SMILESCOc1ccc2c(ccn2C)c1CCON
InChIInChI=1S/C12H16N2O2/c1-14-7-5-9-10(6-8-16-13)12(15-2)4-3-11(9)14/h3-5,7H,6,8,13H2,1-2H3
InChIKeyUDYFZEUQIMPMBZ-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.62
Rot. Bonds4

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

O-[2-(5-methoxy-1-methylindol-4-yl)ethyl]hydroxylamine (PubChem CID 117314453) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is O-[2-(5-methoxy-1-methylindol-4-yl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(5-methoxy-1-methylindol-4-yl)ethyl]hydroxylamine
PubChem CID117314453
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameO-[2-(5-methoxy-1-methylindol-4-yl)ethyl]hydroxylamine
SMILESCOc1ccc2c(ccn2C)c1CCON
InChIInChI=1S/C12H16N2O2/c1-14-7-5-9-10(6-8-16-13)12(15-2)4-3-11(9)14/h3-5,7H,6,8,13H2,1-2H3
InChIKeyUDYFZEUQIMPMBZ-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

O-[(5-methoxy-1-methylindol-4-yl)methyl]hydroxylamine
CID 117294860
O-[2-(4-methoxy-1-methylindol-5-yl)ethyl]hydroxylamine
CID 117314447
O-[2-[3,6-dimethoxy-2-(methoxymethyl)phenyl]ethyl]hydroxylamine
CID 117355268
5-methoxy-1-methyl-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]indole
CID 70484601
[1-(5-methoxy-1-methylindol-4-yl)cyclopentyl]methanamine
CID 117399804
O-[2-(2,6-difluoro-3-methoxyphenyl)ethyl]hydroxylamine
CID 117291282
O-[2-[2,4-dimethoxy-3-(methoxymethyl)phenyl]ethyl]hydroxylamine
CID 117355227
1-[1-(5-methoxy-1-methylindol-4-yl)cyclopropyl]ethanamine
CID 117363094
4-(4-methoxy-1-methylindol-5-yl)butan-1-amine
CID 117336846
(4-methoxy-1-methylindol-6-yl)methanamine
CID 82603456
O-[2-(6-chloro-3-methoxy-2-propan-2-yloxyphenyl)ethyl]hydroxylamine
CID 117403660
O-[2-[2-(difluoromethyl)-6-methoxyphenyl]ethyl]hydroxylamine
CID 117308959

Frequently Asked Questions

What is the IUPAC name of O-[2-(5-methoxy-1-methylindol-4-yl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(5-methoxy-1-methylindol-4-yl)ethyl]hydroxylamine (CID 117314453) is O-[2-(5-methoxy-1-methylindol-4-yl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(5-methoxy-1-methylindol-4-yl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(5-methoxy-1-methylindol-4-yl)ethyl]hydroxylamine is COc1ccc2c(ccn2C)c1CCON.
What is the InChIKey of O-[2-(5-methoxy-1-methylindol-4-yl)ethyl]hydroxylamine?
The InChIKey is UDYFZEUQIMPMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-14-7-5-9-10(6-8-16-13)12(15-2)4-3-11(9)14/h3-5,7H,6,8,13H2,1-2H3.
What are the key properties of O-[2-(5-methoxy-1-methylindol-4-yl)ethyl]hydroxylamine?
O-[2-(5-methoxy-1-methylindol-4-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-(5-methoxy-1-methylindol-4-yl)ethyl]hydroxylamine is sourced from PubChem (CID 117314453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).