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

C13H17F3N2O — CID 117201719

IUPACO-[[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-3-yl]methyl]hydroxylamine
SMILESCC(C)N1CC(CON)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C13H17F3N2O/c1-8(2)18-6-9(7-19-17)11-5-10(13(14,15)16)3-4-12(11)18/h3-5,8-9H,6-7,17H2,1-2H3
InChIKeyNZJZFEHZXUKWTN-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.91
Rot. Bonds3

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

O-[[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-3-yl]methyl]hydroxylamine (PubChem CID 117201719) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is O-[[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-3-yl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-3-yl]methyl]hydroxylamine
PubChem CID117201719
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC NameO-[[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-3-yl]methyl]hydroxylamine
SMILESCC(C)N1CC(CON)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C13H17F3N2O/c1-8(2)18-6-9(7-19-17)11-5-10(13(14,15)16)3-4-12(11)18/h3-5,8-9H,6-7,17H2,1-2H3
InChIKeyNZJZFEHZXUKWTN-UHFFFAOYSA-N
XLogP2.91
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-3-yl]propan-2-one
CID 117201707
N-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-3-yl]ethanamine
CID 117201728
(5-fluoro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine
CID 83861224
(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine
CID 83868804
O-[[1-methyl-6-(trifluoromethyl)-2,3-dihydroindol-2-yl]methyl]hydroxylamine
CID 117202728
[4-methyl-7-(trifluoromethyl)-2,3-dihydro-1,4-benzothiazin-3-yl]methanamine
CID 84638796
1-(4-methylpent-1-en-2-yl)-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-amine
CID 134189009
3-(5-hydroxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-2,2-dimethylpropanoic acid
CID 117202632
1-methyl-1,3-di(propan-2-yl)-6-(trifluoromethyl)-2H-benzimidazol-1-ium
CID 169244580
6-methyl-1-propan-2-yl-2,3-dihydroindol-3-amine
CID 83753003
[2-cyclopropyl-4-(trifluoromethyl)phenyl]boronic acid
CID 66520859
5-(trifluoromethyl)-2-(3,4,5-trimethylpiperazin-1-yl)aniline
CID 114543002

Frequently Asked Questions

What is the IUPAC name of O-[[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-3-yl]methyl]hydroxylamine?
The IUPAC name of O-[[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-3-yl]methyl]hydroxylamine (CID 117201719) is O-[[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-3-yl]methyl]hydroxylamine.
What is the SMILES notation for O-[[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-3-yl]methyl]hydroxylamine?
The canonical SMILES for O-[[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-3-yl]methyl]hydroxylamine is CC(C)N1CC(CON)c2cc(C(F)(F)F)ccc21.
What is the InChIKey of O-[[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-3-yl]methyl]hydroxylamine?
The InChIKey is NZJZFEHZXUKWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-8(2)18-6-9(7-19-17)11-5-10(13(14,15)16)3-4-12(11)18/h3-5,8-9H,6-7,17H2,1-2H3.
What are the key properties of O-[[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-3-yl]methyl]hydroxylamine?
O-[[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-3-yl]methyl]hydroxylamine has a molecular weight of 274.29 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-3-yl]methyl]hydroxylamine is sourced from PubChem (CID 117201719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).