2-[4-[(S)-amino-[3-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]ethanol

C15H15F3N2O — CID 71143945

IUPAC2-[4-[(S)-amino-[3-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]ethanol
SMILESN[C@@H](c1ccc(CCO)cc1)c1ncccc1C(F)(F)F
InChIInChI=1S/C15H15F3N2O/c16-15(17,18)12-2-1-8-20-14(12)13(19)11-5-3-10(4-6-11)7-9-21/h1-6,8,13,21H,7,9,19H2/t13-/m0/s1
InChIKeySLFSDOCCYGRVIT-ZDUSSCGKSA-N
MW296.29 g/mol
LogP2.68
Rot. Bonds4

About 2-[4-[(S)-amino-[3-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]ethanol

2-[4-[(S)-amino-[3-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]ethanol (PubChem CID 71143945) has the molecular formula C15H15F3N2O and a molecular weight of 296.29 g/mol. Its IUPAC name is 2-[4-[(S)-amino-[3-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[(S)-amino-[3-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]ethanol
PubChem CID71143945
Molecular FormulaC15H15F3N2O
Molecular Weight296.29 g/mol
Exact Mass296.11
IUPAC Name2-[4-[(S)-amino-[3-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]ethanol
SMILESN[C@@H](c1ccc(CCO)cc1)c1ncccc1C(F)(F)F
InChIInChI=1S/C15H15F3N2O/c16-15(17,18)12-2-1-8-20-14(12)13(19)11-5-3-10(4-6-11)7-9-21/h1-6,8,13,21H,7,9,19H2/t13-/m0/s1
InChIKeySLFSDOCCYGRVIT-ZDUSSCGKSA-N
XLogP2.68
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(S)-amino-[3-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]ethanol?
The IUPAC name of 2-[4-[(S)-amino-[3-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]ethanol (CID 71143945) is 2-[4-[(S)-amino-[3-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]ethanol.
What is the SMILES notation for 2-[4-[(S)-amino-[3-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]ethanol?
The canonical SMILES for 2-[4-[(S)-amino-[3-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]ethanol is N[C@@H](c1ccc(CCO)cc1)c1ncccc1C(F)(F)F.
What is the InChIKey of 2-[4-[(S)-amino-[3-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]ethanol?
The InChIKey is SLFSDOCCYGRVIT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H15F3N2O/c16-15(17,18)12-2-1-8-20-14(12)13(19)11-5-3-10(4-6-11)7-9-21/h1-6,8,13,21H,7,9,19H2/t13-/m0/s1.
What are the key properties of 2-[4-[(S)-amino-[3-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]ethanol?
2-[4-[(S)-amino-[3-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]ethanol has a molecular weight of 296.29 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(S)-amino-[3-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]ethanol is sourced from PubChem (CID 71143945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).