3-(2,3-dihydro-1H-indol-7-ylmethylamino)-1,1,1-trifluoropropan-2-ol

C12H15F3N2O — CID 114093179

IUPAC3-(2,3-dihydro-1H-indol-7-ylmethylamino)-1,1,1-trifluoropropan-2-ol
SMILESOC(CNCc1cccc2c1NCC2)C(F)(F)F
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)10(18)7-16-6-9-3-1-2-8-4-5-17-11(8)9/h1-3,10,16-18H,4-7H2
InChIKeyRSHCBIWMIWUIBR-UHFFFAOYSA-N
MW260.26 g/mol
LogP1.67
Rot. Bonds4

About 3-(2,3-dihydro-1H-indol-7-ylmethylamino)-1,1,1-trifluoropropan-2-ol

3-(2,3-dihydro-1H-indol-7-ylmethylamino)-1,1,1-trifluoropropan-2-ol (PubChem CID 114093179) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-indol-7-ylmethylamino)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-indol-7-ylmethylamino)-1,1,1-trifluoropropan-2-ol
PubChem CID114093179
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name3-(2,3-dihydro-1H-indol-7-ylmethylamino)-1,1,1-trifluoropropan-2-ol
SMILESOC(CNCc1cccc2c1NCC2)C(F)(F)F
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)10(18)7-16-6-9-3-1-2-8-4-5-17-11(8)9/h1-3,10,16-18H,4-7H2
InChIKeyRSHCBIWMIWUIBR-UHFFFAOYSA-N
XLogP1.67
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dihydro-1H-indol-7-ylmethylamino)-2-methylpropan-1-ol
CID 80650053
N-(2,3-dihydro-1H-indol-7-ylmethyl)-2,2-diethoxyethanamine
CID 80645613
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-phenylmethanamine
CID 80649878
4-(2,3-dihydro-1H-indol-7-ylmethylamino)butan-1-ol
CID 106840914
1-(2-bromophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)methanamine
CID 80649698
[1-[(2,3-dihydro-1H-indol-7-ylmethylamino)methyl]cyclopropyl]methanol
CID 113313189
N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 80649895
2,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butan-1-amine
CID 80649952
1,1,1-trifluoro-3-[[2-(trifluoromethyl)phenyl]methylamino]propan-2-ol
CID 2783073
N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethylpentan-3-amine
CID 80650139
4-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)butan-2-ol
CID 80650133
1,1,1-trifluoro-3-[(2-methyl-3-pyridinyl)methylamino]propan-2-ol
CID 115611293

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-indol-7-ylmethylamino)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(2,3-dihydro-1H-indol-7-ylmethylamino)-1,1,1-trifluoropropan-2-ol (CID 114093179) is 3-(2,3-dihydro-1H-indol-7-ylmethylamino)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(2,3-dihydro-1H-indol-7-ylmethylamino)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(2,3-dihydro-1H-indol-7-ylmethylamino)-1,1,1-trifluoropropan-2-ol is OC(CNCc1cccc2c1NCC2)C(F)(F)F.
What is the InChIKey of 3-(2,3-dihydro-1H-indol-7-ylmethylamino)-1,1,1-trifluoropropan-2-ol?
The InChIKey is RSHCBIWMIWUIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c13-12(14,15)10(18)7-16-6-9-3-1-2-8-4-5-17-11(8)9/h1-3,10,16-18H,4-7H2.
What are the key properties of 3-(2,3-dihydro-1H-indol-7-ylmethylamino)-1,1,1-trifluoropropan-2-ol?
3-(2,3-dihydro-1H-indol-7-ylmethylamino)-1,1,1-trifluoropropan-2-ol has a molecular weight of 260.26 g/mol, XLogP of 1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-indol-7-ylmethylamino)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 114093179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).