1-(pyridin-2-ylmethylamino)-2-[3-(trifluoromethyl)phenyl]propan-2-ol

C16H17F3N2O — CID 111121601

IUPAC1-(pyridin-2-ylmethylamino)-2-[3-(trifluoromethyl)phenyl]propan-2-ol
SMILESCC(O)(CNCc1ccccn1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H17F3N2O/c1-15(22,11-20-10-14-7-2-3-8-21-14)12-5-4-6-13(9-12)16(17,18)19/h2-9,20,22H,10-11H2,1H3
InChIKeyCYAGQMVXKFKUDV-UHFFFAOYSA-N
MW310.32 g/mol
LogP3.10
Rot. Bonds5

About 1-(pyridin-2-ylmethylamino)-2-[3-(trifluoromethyl)phenyl]propan-2-ol

1-(pyridin-2-ylmethylamino)-2-[3-(trifluoromethyl)phenyl]propan-2-ol (PubChem CID 111121601) has the molecular formula C16H17F3N2O and a molecular weight of 310.32 g/mol. Its IUPAC name is 1-(pyridin-2-ylmethylamino)-2-[3-(trifluoromethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-(pyridin-2-ylmethylamino)-2-[3-(trifluoromethyl)phenyl]propan-2-ol
PubChem CID111121601
Molecular FormulaC16H17F3N2O
Molecular Weight310.32 g/mol
Exact Mass310.13
IUPAC Name1-(pyridin-2-ylmethylamino)-2-[3-(trifluoromethyl)phenyl]propan-2-ol
SMILESCC(O)(CNCc1ccccn1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H17F3N2O/c1-15(22,11-20-10-14-7-2-3-8-21-14)12-5-4-6-13(9-12)16(17,18)19/h2-9,20,22H,10-11H2,1H3
InChIKeyCYAGQMVXKFKUDV-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-1-(pyridin-2-ylmethylamino)propan-2-ol
CID 62373506
3-[(pyridin-2-ylmethylamino)methyl]pentan-3-ol
CID 62059227
2-methyl-1-methylsulfanyl-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 111437059
1-(pyridin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2897923
N-(pyridin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]but-2-enamide
CID 71870789
N-(pyridin-2-ylmethyl)-1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanamine
CID 42595092
2-chloro-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)aniline
CID 43714578
2-(3-chlorophenyl)-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
CID 133473010
5-(pyridin-2-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109283161
6-(pyridin-2-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109157711
N-(pyridin-2-ylmethyl)-1-[6-[(pyridin-2-ylmethylamino)methyl]-2-pyridinyl]methanamine
CID 564837
(2R)-1-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]-2-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 95274058

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-2-ylmethylamino)-2-[3-(trifluoromethyl)phenyl]propan-2-ol?
The IUPAC name of 1-(pyridin-2-ylmethylamino)-2-[3-(trifluoromethyl)phenyl]propan-2-ol (CID 111121601) is 1-(pyridin-2-ylmethylamino)-2-[3-(trifluoromethyl)phenyl]propan-2-ol.
What is the SMILES notation for 1-(pyridin-2-ylmethylamino)-2-[3-(trifluoromethyl)phenyl]propan-2-ol?
The canonical SMILES for 1-(pyridin-2-ylmethylamino)-2-[3-(trifluoromethyl)phenyl]propan-2-ol is CC(O)(CNCc1ccccn1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(pyridin-2-ylmethylamino)-2-[3-(trifluoromethyl)phenyl]propan-2-ol?
The InChIKey is CYAGQMVXKFKUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O/c1-15(22,11-20-10-14-7-2-3-8-21-14)12-5-4-6-13(9-12)16(17,18)19/h2-9,20,22H,10-11H2,1H3.
What are the key properties of 1-(pyridin-2-ylmethylamino)-2-[3-(trifluoromethyl)phenyl]propan-2-ol?
1-(pyridin-2-ylmethylamino)-2-[3-(trifluoromethyl)phenyl]propan-2-ol has a molecular weight of 310.32 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-2-ylmethylamino)-2-[3-(trifluoromethyl)phenyl]propan-2-ol is sourced from PubChem (CID 111121601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).