O-[(5-methoxy-1-propan-2-yl-2,3-dihydroindol-2-yl)methyl]hydroxylamine

C13H20N2O2 — CID 117201497

IUPACO-[(5-methoxy-1-propan-2-yl-2,3-dihydroindol-2-yl)methyl]hydroxylamine
SMILESCOc1ccc2c(c1)CC(CON)N2C(C)C
InChIInChI=1S/C13H20N2O2/c1-9(2)15-11(8-17-14)6-10-7-12(16-3)4-5-13(10)15/h4-5,7,9,11H,6,8,14H2,1-3H3
InChIKeyIASVHZKSPNRKSM-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.73
Rot. Bonds4

About O-[(5-methoxy-1-propan-2-yl-2,3-dihydroindol-2-yl)methyl]hydroxylamine

O-[(5-methoxy-1-propan-2-yl-2,3-dihydroindol-2-yl)methyl]hydroxylamine (PubChem CID 117201497) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is O-[(5-methoxy-1-propan-2-yl-2,3-dihydroindol-2-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(5-methoxy-1-propan-2-yl-2,3-dihydroindol-2-yl)methyl]hydroxylamine
PubChem CID117201497
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameO-[(5-methoxy-1-propan-2-yl-2,3-dihydroindol-2-yl)methyl]hydroxylamine
SMILESCOc1ccc2c(c1)CC(CON)N2C(C)C
InChIInChI=1S/C13H20N2O2/c1-9(2)15-11(8-17-14)6-10-7-12(16-3)4-5-13(10)15/h4-5,7,9,11H,6,8,14H2,1-3H3
InChIKeyIASVHZKSPNRKSM-UHFFFAOYSA-N
XLogP1.73
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine
CID 117201536
3-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-2-yl)-2,2-dimethylpropanoic acid
CID 117201564
1-(1-ethyl-5-methoxy-2,3-dihydroindol-2-yl)propan-2-amine
CID 117201525
O-[(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)methyl]hydroxylamine
CID 117202572
2-(1-ethyl-5-methoxy-2,3-dihydroindol-2-yl)ethanol
CID 117201471
5-methoxy-2-methyl-2,3-dihydroindol-1-amine
CID 154110611
2-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-N-methylethanamine
CID 117201446
3-(5-bromo-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine
CID 117201227
3-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine
CID 117201453
3-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine
CID 115006247
1-butan-2-yl-5-methoxy-2,3-dihydroindole
CID 134286495
ethyl 3-ethyl-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate
CID 110663128

Frequently Asked Questions

What is the IUPAC name of O-[(5-methoxy-1-propan-2-yl-2,3-dihydroindol-2-yl)methyl]hydroxylamine?
The IUPAC name of O-[(5-methoxy-1-propan-2-yl-2,3-dihydroindol-2-yl)methyl]hydroxylamine (CID 117201497) is O-[(5-methoxy-1-propan-2-yl-2,3-dihydroindol-2-yl)methyl]hydroxylamine.
What is the SMILES notation for O-[(5-methoxy-1-propan-2-yl-2,3-dihydroindol-2-yl)methyl]hydroxylamine?
The canonical SMILES for O-[(5-methoxy-1-propan-2-yl-2,3-dihydroindol-2-yl)methyl]hydroxylamine is COc1ccc2c(c1)CC(CON)N2C(C)C.
What is the InChIKey of O-[(5-methoxy-1-propan-2-yl-2,3-dihydroindol-2-yl)methyl]hydroxylamine?
The InChIKey is IASVHZKSPNRKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(2)15-11(8-17-14)6-10-7-12(16-3)4-5-13(10)15/h4-5,7,9,11H,6,8,14H2,1-3H3.
What are the key properties of O-[(5-methoxy-1-propan-2-yl-2,3-dihydroindol-2-yl)methyl]hydroxylamine?
O-[(5-methoxy-1-propan-2-yl-2,3-dihydroindol-2-yl)methyl]hydroxylamine has a molecular weight of 236.31 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(5-methoxy-1-propan-2-yl-2,3-dihydroindol-2-yl)methyl]hydroxylamine is sourced from PubChem (CID 117201497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).