2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-4-methylpentan-1-ol

C15H22F3NO2 — CID 61247016

IUPAC2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-4-methylpentan-1-ol
SMILESCC(C)CC(CO)NCC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H22F3NO2/c1-10(2)7-13(9-20)19-8-14(21)11-3-5-12(6-4-11)15(16,17)18/h3-6,10,13-14,19-21H,7-9H2,1-2H3
InChIKeyJTJQKUIMJCKHGS-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.74
Rot. Bonds7

About 2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-4-methylpentan-1-ol

2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-4-methylpentan-1-ol (PubChem CID 61247016) has the molecular formula C15H22F3NO2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-4-methylpentan-1-ol
PubChem CID61247016
Molecular FormulaC15H22F3NO2
Molecular Weight305.34 g/mol
Exact Mass305.16
IUPAC Name2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-4-methylpentan-1-ol
SMILESCC(C)CC(CO)NCC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H22F3NO2/c1-10(2)7-13(9-20)19-8-14(21)11-3-5-12(6-4-11)15(16,17)18/h3-6,10,13-14,19-21H,7-9H2,1-2H3
InChIKeyJTJQKUIMJCKHGS-UHFFFAOYSA-N
XLogP2.74
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-3-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol
CID 67342546
2-(methylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60903965
N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N-(2-methylpropyl)oxamide
CID 90534872
2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-[4-(trifluoromethyl)phenyl]ethanol
CID 81392609
ethyl 2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]propanoate
CID 61499161
(1R)-2-[[(2R)-1-(2-methylphenyl)propan-2-yl]amino]-1-[4-(trifluoromethyl)phenyl]ethanol
CID 54087155
(1R)-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 10192650
2-[1-[4-(trifluoromethyl)phenyl]ethylamino]butan-1-ol
CID 43207200
2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]propan-1-ol
CID 60909048
(1S,3R)-3-methyl-1-[4-(trifluoromethyl)phenyl]pent-4-en-1-ol
CID 132560145
4-methyl-2-(2-phenylpropylamino)pentan-1-ol
CID 61246256
2-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 129032345

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-4-methylpentan-1-ol?
The IUPAC name of 2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-4-methylpentan-1-ol (CID 61247016) is 2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-4-methylpentan-1-ol.
What is the SMILES notation for 2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-4-methylpentan-1-ol?
The canonical SMILES for 2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-4-methylpentan-1-ol is CC(C)CC(CO)NCC(O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-4-methylpentan-1-ol?
The InChIKey is JTJQKUIMJCKHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO2/c1-10(2)7-13(9-20)19-8-14(21)11-3-5-12(6-4-11)15(16,17)18/h3-6,10,13-14,19-21H,7-9H2,1-2H3.
What are the key properties of 2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-4-methylpentan-1-ol?
2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-4-methylpentan-1-ol has a molecular weight of 305.34 g/mol, XLogP of 2.74, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-4-methylpentan-1-ol is sourced from PubChem (CID 61247016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).