O-[2-(7-methoxy-1H-indol-4-yl)ethyl]hydroxylamine

C11H14N2O2 — CID 117294827

IUPACO-[2-(7-methoxy-1H-indol-4-yl)ethyl]hydroxylamine
SMILESCOc1ccc(CCON)c2cc[nH]c12
InChIInChI=1S/C11H14N2O2/c1-14-10-3-2-8(5-7-15-12)9-4-6-13-11(9)10/h2-4,6,13H,5,7,12H2,1H3
InChIKeyKFFDUVRNBJZNAD-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.61
Rot. Bonds4

About O-[2-(7-methoxy-1H-indol-4-yl)ethyl]hydroxylamine

O-[2-(7-methoxy-1H-indol-4-yl)ethyl]hydroxylamine (PubChem CID 117294827) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is O-[2-(7-methoxy-1H-indol-4-yl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(7-methoxy-1H-indol-4-yl)ethyl]hydroxylamine
PubChem CID117294827
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC NameO-[2-(7-methoxy-1H-indol-4-yl)ethyl]hydroxylamine
SMILESCOc1ccc(CCON)c2cc[nH]c12
InChIInChI=1S/C11H14N2O2/c1-14-10-3-2-8(5-7-15-12)9-4-6-13-11(9)10/h2-4,6,13H,5,7,12H2,1H3
InChIKeyKFFDUVRNBJZNAD-UHFFFAOYSA-N
XLogP1.61
TPSA60.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

O-[2-[2,4-dimethoxy-3-(methoxymethyl)phenyl]ethyl]hydroxylamine
CID 117355227
O-[2-(2,3-dimethoxyphenyl)ethyl]hydroxylamine
CID 83484924
O-[2-[2,3-dimethoxy-4-(methoxymethyl)phenyl]ethyl]hydroxylamine
CID 117355228
O-[2-(2-methoxy-5-methylsulfanylphenyl)ethyl]hydroxylamine
CID 117304512
O-[2-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)ethyl]hydroxylamine
CID 117412248
7-(2-methoxyethyl)-4-(trifluoromethoxy)-1H-indole
CID 174702036
O-[2-(3-fluoro-2-methoxy-4-methylphenyl)ethyl]hydroxylamine
CID 117288457
methyl 7-methoxy-1H-indole-4-carboxylate
CID 11020003
4-(7-methoxy-1H-indol-4-yl)-1H-pyrazol-5-amine
CID 117328786
O-[2-(2-cyclobutyloxy-3-methoxyphenyl)ethyl]hydroxylamine
CID 117347185
O-[2-(2-methoxy-3-methylsulfonylphenyl)ethyl]hydroxylamine
CID 117365223
3-(7-methoxy-1H-indol-6-yl)propan-1-amine
CID 76846854

Frequently Asked Questions

What is the IUPAC name of O-[2-(7-methoxy-1H-indol-4-yl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(7-methoxy-1H-indol-4-yl)ethyl]hydroxylamine (CID 117294827) is O-[2-(7-methoxy-1H-indol-4-yl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(7-methoxy-1H-indol-4-yl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(7-methoxy-1H-indol-4-yl)ethyl]hydroxylamine is COc1ccc(CCON)c2cc[nH]c12.
What is the InChIKey of O-[2-(7-methoxy-1H-indol-4-yl)ethyl]hydroxylamine?
The InChIKey is KFFDUVRNBJZNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-14-10-3-2-8(5-7-15-12)9-4-6-13-11(9)10/h2-4,6,13H,5,7,12H2,1H3.
What are the key properties of O-[2-(7-methoxy-1H-indol-4-yl)ethyl]hydroxylamine?
O-[2-(7-methoxy-1H-indol-4-yl)ethyl]hydroxylamine has a molecular weight of 206.25 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(7-methoxy-1H-indol-4-yl)ethyl]hydroxylamine is sourced from PubChem (CID 117294827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).