2-[3-(difluoromethyl)phenyl]-2-(propan-2-ylamino)ethanol

C12H17F2NO — CID 115528119

IUPAC2-[3-(difluoromethyl)phenyl]-2-(propan-2-ylamino)ethanol
SMILESCC(C)NC(CO)c1cccc(C(F)F)c1
InChIInChI=1S/C12H17F2NO/c1-8(2)15-11(7-16)9-4-3-5-10(6-9)12(13)14/h3-6,8,11-12,15-16H,7H2,1-2H3
InChIKeyBGUGETHIWRKMKM-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.66
Rot. Bonds5

About 2-[3-(difluoromethyl)phenyl]-2-(propan-2-ylamino)ethanol

2-[3-(difluoromethyl)phenyl]-2-(propan-2-ylamino)ethanol (PubChem CID 115528119) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)phenyl]-2-(propan-2-ylamino)ethanol.

Molecular Properties

Compound Name2-[3-(difluoromethyl)phenyl]-2-(propan-2-ylamino)ethanol
PubChem CID115528119
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name2-[3-(difluoromethyl)phenyl]-2-(propan-2-ylamino)ethanol
SMILESCC(C)NC(CO)c1cccc(C(F)F)c1
InChIInChI=1S/C12H17F2NO/c1-8(2)15-11(7-16)9-4-3-5-10(6-9)12(13)14/h3-6,8,11-12,15-16H,7H2,1-2H3
InChIKeyBGUGETHIWRKMKM-UHFFFAOYSA-N
XLogP2.66
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(butan-2-ylamino)-2-[3-(difluoromethyl)phenyl]ethanol
CID 115528120
2-[3-(difluoromethyl)phenyl]-2-(2-methylanilino)ethanol
CID 115528113
2-(2-chloroanilino)-2-[3-(difluoromethyl)phenyl]ethanol
CID 115528114
(2R)-2-amino-2-[3-(difluoromethyl)phenyl]ethanol
CID 66514168
3-(3-methylphenyl)-3-(propan-2-ylamino)propan-1-ol
CID 83820333
(2R)-2-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol
CID 93470492
ethyl 2-[3-(difluoromethyl)phenyl]-2-(propan-2-ylamino)acetate
CID 113328818
2-[[2-amino-1-[3-(difluoromethyl)phenyl]ethyl]amino]ethanol
CID 115526912
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(propan-2-ylamino)ethanol
CID 61048603
2-(2,3-difluorophenyl)-2-(propan-2-ylamino)ethanol
CID 63667424
2-(4-methoxy-3-propan-2-ylphenyl)-2-(propan-2-ylamino)ethanol
CID 112512598
methyl 3-[3-(difluoromethyl)phenyl]-3-(methylamino)propanoate
CID 115529790

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)phenyl]-2-(propan-2-ylamino)ethanol?
The IUPAC name of 2-[3-(difluoromethyl)phenyl]-2-(propan-2-ylamino)ethanol (CID 115528119) is 2-[3-(difluoromethyl)phenyl]-2-(propan-2-ylamino)ethanol.
What is the SMILES notation for 2-[3-(difluoromethyl)phenyl]-2-(propan-2-ylamino)ethanol?
The canonical SMILES for 2-[3-(difluoromethyl)phenyl]-2-(propan-2-ylamino)ethanol is CC(C)NC(CO)c1cccc(C(F)F)c1.
What is the InChIKey of 2-[3-(difluoromethyl)phenyl]-2-(propan-2-ylamino)ethanol?
The InChIKey is BGUGETHIWRKMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-8(2)15-11(7-16)9-4-3-5-10(6-9)12(13)14/h3-6,8,11-12,15-16H,7H2,1-2H3.
What are the key properties of 2-[3-(difluoromethyl)phenyl]-2-(propan-2-ylamino)ethanol?
2-[3-(difluoromethyl)phenyl]-2-(propan-2-ylamino)ethanol has a molecular weight of 229.27 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)phenyl]-2-(propan-2-ylamino)ethanol is sourced from PubChem (CID 115528119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).