3-amino-1,1,1-trifluoro-2-(2-methylquinolin-6-yl)butan-2-ol

C14H15F3N2O — CID 81224082

IUPAC3-amino-1,1,1-trifluoro-2-(2-methylquinolin-6-yl)butan-2-ol
SMILESCc1ccc2cc(C(O)(C(C)N)C(F)(F)F)ccc2n1
InChIInChI=1S/C14H15F3N2O/c1-8-3-4-10-7-11(5-6-12(10)19-8)13(20,9(2)18)14(15,16)17/h3-7,9,20H,18H2,1-2H3
InChIKeyXYQZGYFPESHYFO-UHFFFAOYSA-N
MW284.28 g/mol
LogP2.64
Rot. Bonds2

About 3-amino-1,1,1-trifluoro-2-(2-methylquinolin-6-yl)butan-2-ol

3-amino-1,1,1-trifluoro-2-(2-methylquinolin-6-yl)butan-2-ol (PubChem CID 81224082) has the molecular formula C14H15F3N2O and a molecular weight of 284.28 g/mol. Its IUPAC name is 3-amino-1,1,1-trifluoro-2-(2-methylquinolin-6-yl)butan-2-ol.

Molecular Properties

Compound Name3-amino-1,1,1-trifluoro-2-(2-methylquinolin-6-yl)butan-2-ol
PubChem CID81224082
Molecular FormulaC14H15F3N2O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC Name3-amino-1,1,1-trifluoro-2-(2-methylquinolin-6-yl)butan-2-ol
SMILESCc1ccc2cc(C(O)(C(C)N)C(F)(F)F)ccc2n1
InChIInChI=1S/C14H15F3N2O/c1-8-3-4-10-7-11(5-6-12(10)19-8)13(20,9(2)18)14(15,16)17/h3-7,9,20H,18H2,1-2H3
InChIKeyXYQZGYFPESHYFO-UHFFFAOYSA-N
XLogP2.64
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(3,5-dimethylphenyl)-1,1,1-trifluorobutan-2-ol
CID 55181159
1,1-dimethoxy-2-(2-methylquinolin-6-yl)propan-2-ol
CID 81216505
2-(2-methylquinolin-6-yl)-4-(propan-2-ylamino)butan-2-ol
CID 81221994
3-amino-1,1,1-trifluoro-2-(3-fluoro-4-methoxyphenyl)butan-2-ol
CID 63082229
3,3,3-trifluoro-1-(2-methylquinolin-6-yl)propan-1-amine
CID 79016384
2-amino-1-(2-methylquinolin-6-yl)propan-1-one
CID 116551720
3-amino-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,1,1-trifluorobutan-2-ol
CID 63082063
2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)quinoline
CID 90246837
4-(tert-butylamino)-2-(2-methylquinolin-6-yl)butan-2-ol
CID 81228162
1-(2-bromophenyl)-1-(2-methylquinolin-6-yl)ethanol
CID 81197449
1-(3-methylphenyl)-1-(2-methylquinolin-6-yl)ethanamine
CID 81197111
2-methylquinolin-6-ol
CID 594395

Frequently Asked Questions

What is the IUPAC name of 3-amino-1,1,1-trifluoro-2-(2-methylquinolin-6-yl)butan-2-ol?
The IUPAC name of 3-amino-1,1,1-trifluoro-2-(2-methylquinolin-6-yl)butan-2-ol (CID 81224082) is 3-amino-1,1,1-trifluoro-2-(2-methylquinolin-6-yl)butan-2-ol.
What is the SMILES notation for 3-amino-1,1,1-trifluoro-2-(2-methylquinolin-6-yl)butan-2-ol?
The canonical SMILES for 3-amino-1,1,1-trifluoro-2-(2-methylquinolin-6-yl)butan-2-ol is Cc1ccc2cc(C(O)(C(C)N)C(F)(F)F)ccc2n1.
What is the InChIKey of 3-amino-1,1,1-trifluoro-2-(2-methylquinolin-6-yl)butan-2-ol?
The InChIKey is XYQZGYFPESHYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O/c1-8-3-4-10-7-11(5-6-12(10)19-8)13(20,9(2)18)14(15,16)17/h3-7,9,20H,18H2,1-2H3.
What are the key properties of 3-amino-1,1,1-trifluoro-2-(2-methylquinolin-6-yl)butan-2-ol?
3-amino-1,1,1-trifluoro-2-(2-methylquinolin-6-yl)butan-2-ol has a molecular weight of 284.28 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,1,1-trifluoro-2-(2-methylquinolin-6-yl)butan-2-ol is sourced from PubChem (CID 81224082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).