1,1,1-trifluoro-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol

C13H16F3NO — CID 113260462

IUPAC1,1,1-trifluoro-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
SMILESCc1ccc2c(c1)C(NCC(O)C(F)(F)F)CC2
InChIInChI=1S/C13H16F3NO/c1-8-2-3-9-4-5-11(10(9)6-8)17-7-12(18)13(14,15)16/h2-3,6,11-12,17-18H,4-5,7H2,1H3
InChIKeyHOSCLUXVHCKSQI-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.50
Rot. Bonds3

About 1,1,1-trifluoro-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol

1,1,1-trifluoro-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol (PubChem CID 113260462) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
PubChem CID113260462
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name1,1,1-trifluoro-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
SMILESCc1ccc2c(c1)C(NCC(O)C(F)(F)F)CC2
InChIInChI=1S/C13H16F3NO/c1-8-2-3-9-4-5-11(10(9)6-8)17-7-12(18)13(14,15)16/h2-3,6,11-12,17-18H,4-5,7H2,1H3
InChIKeyHOSCLUXVHCKSQI-UHFFFAOYSA-N
XLogP2.50
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1,1,1-trifluoro-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol with MolForge

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Related Compounds

(2R)-1-[(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-2-ol
CID 103906801
3-[[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]pentan-1-ol
CID 81343671
3-[[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]hexan-1-ol
CID 103787436
(2S)-1-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
CID 103906577
4-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 106840528
6-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 81298545
tert-butyl N-[1-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-2-yl]carbamate
CID 107250248
(1S)-N-(2-methoxyethyl)-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 97357930
1,1,1-trifluoro-3-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
CID 113260457
(2R)-1-[(6-chloro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
CID 103906751
6-methyl-N-(3-methylsulfanylbutyl)-2,3-dihydro-1H-inden-1-amine
CID 115716161
5-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]pentanamide
CID 114161832

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol (CID 113260462) is 1,1,1-trifluoro-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol is Cc1ccc2c(c1)C(NCC(O)C(F)(F)F)CC2.
What is the InChIKey of 1,1,1-trifluoro-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol?
The InChIKey is HOSCLUXVHCKSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c1-8-2-3-9-4-5-11(10(9)6-8)17-7-12(18)13(14,15)16/h2-3,6,11-12,17-18H,4-5,7H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol?
1,1,1-trifluoro-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol has a molecular weight of 259.27 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol is sourced from PubChem (CID 113260462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).