(1S)-2-(tert-butylamino)-1-[3-(trifluoromethyl)-2-pyridinyl]ethanol

C12H17F3N2O — CID 155142364

IUPAC(1S)-2-(tert-butylamino)-1-[3-(trifluoromethyl)-2-pyridinyl]ethanol
SMILESCC(C)(C)NC[C@H](O)c1ncccc1C(F)(F)F
InChIInChI=1S/C12H17F3N2O/c1-11(2,3)17-7-9(18)10-8(12(13,14)15)5-4-6-16-10/h4-6,9,17-18H,7H2,1-3H3/t9-/m0/s1
InChIKeyYJGVULPZBMVQSN-VIFPVBQESA-N
MW262.27 g/mol
LogP2.52
Rot. Bonds3

About (1S)-2-(tert-butylamino)-1-[3-(trifluoromethyl)-2-pyridinyl]ethanol

(1S)-2-(tert-butylamino)-1-[3-(trifluoromethyl)-2-pyridinyl]ethanol (PubChem CID 155142364) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is (1S)-2-(tert-butylamino)-1-[3-(trifluoromethyl)-2-pyridinyl]ethanol.

Molecular Properties

Compound Name(1S)-2-(tert-butylamino)-1-[3-(trifluoromethyl)-2-pyridinyl]ethanol
PubChem CID155142364
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name(1S)-2-(tert-butylamino)-1-[3-(trifluoromethyl)-2-pyridinyl]ethanol
SMILESCC(C)(C)NC[C@H](O)c1ncccc1C(F)(F)F
InChIInChI=1S/C12H17F3N2O/c1-11(2,3)17-7-9(18)10-8(12(13,14)15)5-4-6-16-10/h4-6,9,17-18H,7H2,1-3H3/t9-/m0/s1
InChIKeyYJGVULPZBMVQSN-VIFPVBQESA-N
XLogP2.52
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-(tert-butylamino)-1-[3-(trifluoromethyl)-2-pyridinyl]ethanol?
The IUPAC name of (1S)-2-(tert-butylamino)-1-[3-(trifluoromethyl)-2-pyridinyl]ethanol (CID 155142364) is (1S)-2-(tert-butylamino)-1-[3-(trifluoromethyl)-2-pyridinyl]ethanol.
What is the SMILES notation for (1S)-2-(tert-butylamino)-1-[3-(trifluoromethyl)-2-pyridinyl]ethanol?
The canonical SMILES for (1S)-2-(tert-butylamino)-1-[3-(trifluoromethyl)-2-pyridinyl]ethanol is CC(C)(C)NC[C@H](O)c1ncccc1C(F)(F)F.
What is the InChIKey of (1S)-2-(tert-butylamino)-1-[3-(trifluoromethyl)-2-pyridinyl]ethanol?
The InChIKey is YJGVULPZBMVQSN-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-11(2,3)17-7-9(18)10-8(12(13,14)15)5-4-6-16-10/h4-6,9,17-18H,7H2,1-3H3/t9-/m0/s1.
What are the key properties of (1S)-2-(tert-butylamino)-1-[3-(trifluoromethyl)-2-pyridinyl]ethanol?
(1S)-2-(tert-butylamino)-1-[3-(trifluoromethyl)-2-pyridinyl]ethanol has a molecular weight of 262.27 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(tert-butylamino)-1-[3-(trifluoromethyl)-2-pyridinyl]ethanol is sourced from PubChem (CID 155142364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).