2-(butan-2-ylamino)-2-[2-(trifluoromethyl)phenyl]ethanol

C13H18F3NO — CID 61049420

IUPAC2-(butan-2-ylamino)-2-[2-(trifluoromethyl)phenyl]ethanol
SMILESCCC(C)NC(CO)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H18F3NO/c1-3-9(2)17-12(8-18)10-6-4-5-7-11(10)13(14,15)16/h4-7,9,12,17-18H,3,8H2,1-2H3
InChIKeyDELPOJMLMLYCKX-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.13
Rot. Bonds5

About 2-(butan-2-ylamino)-2-[2-(trifluoromethyl)phenyl]ethanol

2-(butan-2-ylamino)-2-[2-(trifluoromethyl)phenyl]ethanol (PubChem CID 61049420) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-2-[2-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(butan-2-ylamino)-2-[2-(trifluoromethyl)phenyl]ethanol
PubChem CID61049420
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name2-(butan-2-ylamino)-2-[2-(trifluoromethyl)phenyl]ethanol
SMILESCCC(C)NC(CO)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H18F3NO/c1-3-9(2)17-12(8-18)10-6-4-5-7-11(10)13(14,15)16/h4-7,9,12,17-18H,3,8H2,1-2H3
InChIKeyDELPOJMLMLYCKX-UHFFFAOYSA-N
XLogP3.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-methyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 24890731
2-(butan-2-ylamino)-2-[2-(trifluoromethyl)phenyl]acetic acid
CID 54908281
2-[1-[2-(trifluoromethyl)phenyl]ethylamino]propane-1,3-diol
CID 65310633
(2S)-2-amino-2-[2-(trifluoromethyl)phenyl]ethanol
CID 66514163
N-[1-[2-(trifluoromethyl)phenyl]propyl]aniline
CID 15399389
2-amino-2-[2-(trifluoromethyl)phenyl]ethanol;methane
CID 160725618
N,3-dimethyl-1-[2-(trifluoromethyl)phenyl]hexan-1-amine
CID 115845337
N,3,3-trimethyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 63890866
2-ethylsulfanyl-N-methyl-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 65128452
2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-[2-(trifluoromethyl)phenyl]ethanol
CID 138051733
N-[1-[2-(trifluoromethyl)phenyl]ethyl]hexan-3-amine
CID 63476565
N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-3-methyloxetane-3-carboxamide
CID 138024701

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-2-[2-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-(butan-2-ylamino)-2-[2-(trifluoromethyl)phenyl]ethanol (CID 61049420) is 2-(butan-2-ylamino)-2-[2-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-(butan-2-ylamino)-2-[2-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-(butan-2-ylamino)-2-[2-(trifluoromethyl)phenyl]ethanol is CCC(C)NC(CO)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-(butan-2-ylamino)-2-[2-(trifluoromethyl)phenyl]ethanol?
The InChIKey is DELPOJMLMLYCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO/c1-3-9(2)17-12(8-18)10-6-4-5-7-11(10)13(14,15)16/h4-7,9,12,17-18H,3,8H2,1-2H3.
What are the key properties of 2-(butan-2-ylamino)-2-[2-(trifluoromethyl)phenyl]ethanol?
2-(butan-2-ylamino)-2-[2-(trifluoromethyl)phenyl]ethanol has a molecular weight of 261.29 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-2-[2-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 61049420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).