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

C13H20N2O2 — CID 117202572

IUPACO-[(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)methyl]hydroxylamine
SMILESCOc1ccc2c(c1)C(CON)CN2C(C)C
InChIInChI=1S/C13H20N2O2/c1-9(2)15-7-10(8-17-14)12-6-11(16-3)4-5-13(12)15/h4-6,9-10H,7-8,14H2,1-3H3
InChIKeyDCGRHKARSKHPTJ-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.90
Rot. Bonds4

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

O-[(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)methyl]hydroxylamine (PubChem CID 117202572) 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-3-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)methyl]hydroxylamine
PubChem CID117202572
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameO-[(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)methyl]hydroxylamine
SMILESCOc1ccc2c(c1)C(CON)CN2C(C)C
InChIInChI=1S/C13H20N2O2/c1-9(2)15-7-10(8-17-14)12-6-11(16-3)4-5-13(12)15/h4-6,9-10H,7-8,14H2,1-3H3
InChIKeyDCGRHKARSKHPTJ-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
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

2-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-N-methylethanamine
CID 117202601
2-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-N,N-dimethylethanamine
CID 169244252
O-[[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-3-yl]methyl]hydroxylamine
CID 117201719
1-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)ethanol
CID 117202563
(5-methyl-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine
CID 83861221
O-[(5-methoxy-1-propan-2-yl-2,3-dihydroindol-2-yl)methyl]hydroxylamine
CID 117201497
O-[(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)methyl]hydroxylamine
CID 117202333
1-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-3-yl)propan-2-amine
CID 115006256
5-methoxy-1,3-dipropyl-2,3-dihydroindole
CID 83960216
2-[(3R)-5-methoxy-1-methyl-2,3-dihydroindol-3-yl]-N,N-dimethylethanamine
CID 170323800
3-(5-methoxy-1-methyl-2,3-dihydroindol-3-yl)-N-methylpropan-1-amine
CID 117202519
methyl 5-methoxy-3-(2-methyl-3-oxobutyl)-2,3-dihydroindole-1-sulfonate
CID 101194937

Frequently Asked Questions

What is the IUPAC name of O-[(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)methyl]hydroxylamine?
The IUPAC name of O-[(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)methyl]hydroxylamine (CID 117202572) is O-[(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)methyl]hydroxylamine.
What is the SMILES notation for O-[(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)methyl]hydroxylamine?
The canonical SMILES for O-[(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)methyl]hydroxylamine is COc1ccc2c(c1)C(CON)CN2C(C)C.
What is the InChIKey of O-[(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)methyl]hydroxylamine?
The InChIKey is DCGRHKARSKHPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(2)15-7-10(8-17-14)12-6-11(16-3)4-5-13(12)15/h4-6,9-10H,7-8,14H2,1-3H3.
What are the key properties of O-[(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)methyl]hydroxylamine?
O-[(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)methyl]hydroxylamine has a molecular weight of 236.31 g/mol, XLogP of 1.90, 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-3-yl)methyl]hydroxylamine is sourced from PubChem (CID 117202572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).