2-(1-pyridin-2-ylethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol

C16H17F3N2O — CID 110896910

IUPAC2-(1-pyridin-2-ylethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESCC(NCC(O)c1cccc(C(F)(F)F)c1)c1ccccn1
InChIInChI=1S/C16H17F3N2O/c1-11(14-7-2-3-8-20-14)21-10-15(22)12-5-4-6-13(9-12)16(17,18)19/h2-9,11,15,21-22H,10H2,1H3
InChIKeyDLTUJNVGVXCSMM-UHFFFAOYSA-N
MW310.32 g/mol
LogP3.48
Rot. Bonds5

About 2-(1-pyridin-2-ylethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol

2-(1-pyridin-2-ylethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol (PubChem CID 110896910) has the molecular formula C16H17F3N2O and a molecular weight of 310.32 g/mol. Its IUPAC name is 2-(1-pyridin-2-ylethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(1-pyridin-2-ylethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
PubChem CID110896910
Molecular FormulaC16H17F3N2O
Molecular Weight310.32 g/mol
Exact Mass310.13
IUPAC Name2-(1-pyridin-2-ylethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESCC(NCC(O)c1cccc(C(F)(F)F)c1)c1ccccn1
InChIInChI=1S/C16H17F3N2O/c1-11(14-7-2-3-8-20-14)21-10-15(22)12-5-4-6-13(9-12)16(17,18)19/h2-9,11,15,21-22H,10H2,1H3
InChIKeyDLTUJNVGVXCSMM-UHFFFAOYSA-N
XLogP3.48
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethanol
CID 81407252
1-phenyl-2-(1-pyridin-2-ylethylamino)ethanol
CID 43394637
2-(propan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60903667
1-(4-fluorophenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethanol
CID 81401380
1-(4-chlorophenyl)-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethanol
CID 81406911
1-(1-pyridin-2-ylethylamino)propan-2-ol
CID 43499405
2-(1-methoxypropan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60897467
1-[4-(difluoromethoxy)phenyl]-2-(1-pyridin-2-ylethylamino)ethanol
CID 110902098
1-[[(1S)-1-pyridin-2-ylethyl]amino]butan-2-ol
CID 81401299
3-amino-2-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 80525256
1-(2,5-difluorophenyl)-2-(1-pyridin-2-ylethylamino)ethanol
CID 60909735
2-(heptan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60980974

Frequently Asked Questions

What is the IUPAC name of 2-(1-pyridin-2-ylethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-(1-pyridin-2-ylethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol (CID 110896910) is 2-(1-pyridin-2-ylethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-(1-pyridin-2-ylethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-(1-pyridin-2-ylethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol is CC(NCC(O)c1cccc(C(F)(F)F)c1)c1ccccn1.
What is the InChIKey of 2-(1-pyridin-2-ylethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol?
The InChIKey is DLTUJNVGVXCSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O/c1-11(14-7-2-3-8-20-14)21-10-15(22)12-5-4-6-13(9-12)16(17,18)19/h2-9,11,15,21-22H,10H2,1H3.
What are the key properties of 2-(1-pyridin-2-ylethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol?
2-(1-pyridin-2-ylethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol has a molecular weight of 310.32 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pyridin-2-ylethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 110896910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).