2-(1-methoxypropan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol

C13H18F3NO2 — CID 60897467

IUPAC2-(1-methoxypropan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESCOCC(C)NCC(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H18F3NO2/c1-9(8-19-2)17-7-12(18)10-4-3-5-11(6-10)13(14,15)16/h3-6,9,12,17-18H,7-8H2,1-2H3
InChIKeyLRLUQHWPGVFXIP-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.36
Rot. Bonds6

About 2-(1-methoxypropan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol

2-(1-methoxypropan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol (PubChem CID 60897467) has the molecular formula C13H18F3NO2 and a molecular weight of 277.29 g/mol. Its IUPAC name is 2-(1-methoxypropan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(1-methoxypropan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
PubChem CID60897467
Molecular FormulaC13H18F3NO2
Molecular Weight277.29 g/mol
Exact Mass277.13
IUPAC Name2-(1-methoxypropan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESCOCC(C)NCC(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H18F3NO2/c1-9(8-19-2)17-7-12(18)10-4-3-5-11(6-10)13(14,15)16/h3-6,9,12,17-18H,7-8H2,1-2H3
InChIKeyLRLUQHWPGVFXIP-UHFFFAOYSA-N
XLogP2.36
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(propan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60903667
1-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-(1-methoxypropan-2-yl)urea
CID 111108807
2-(heptan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60980974
4-[2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]propyl]phenol
CID 70485756
2-[1-[4-(aminomethyl)phenyl]propan-2-ylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 70554567
2-[1-(4-aminophenyl)propan-2-ylamino]-1-[3-(trifluoromethyl)phenyl]ethanol;dihydrochloride
CID 70534879
2-[1-[4-[2-(dimethylamino)ethoxy]phenyl]propan-2-ylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 70468055
methyl 4-[2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]propyl]-3-methoxybenzoate
CID 20501356
methyl 3-[2-[2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]propyl]phenyl]prop-2-enoate
CID 70551657
2-(1-pyridin-2-ylethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 110896910
4-[(3R)-3-[[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]butyl]benzamide
CID 70430543
2-[1-(1H-indol-3-yl)propan-2-ylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 139750798

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxypropan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-(1-methoxypropan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol (CID 60897467) is 2-(1-methoxypropan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-(1-methoxypropan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-(1-methoxypropan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol is COCC(C)NCC(O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(1-methoxypropan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol?
The InChIKey is LRLUQHWPGVFXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO2/c1-9(8-19-2)17-7-12(18)10-4-3-5-11(6-10)13(14,15)16/h3-6,9,12,17-18H,7-8H2,1-2H3.
What are the key properties of 2-(1-methoxypropan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol?
2-(1-methoxypropan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol has a molecular weight of 277.29 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypropan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 60897467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).