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

C13H19F2NO — CID 115528120

IUPAC2-(butan-2-ylamino)-2-[3-(difluoromethyl)phenyl]ethanol
SMILESCCC(C)NC(CO)c1cccc(C(F)F)c1
InChIInChI=1S/C13H19F2NO/c1-3-9(2)16-12(8-17)10-5-4-6-11(7-10)13(14)15/h4-7,9,12-13,16-17H,3,8H2,1-2H3
InChIKeyVVJJPBVFURXHCE-UHFFFAOYSA-N
MW243.30 g/mol
LogP3.05
Rot. Bonds6

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

2-(butan-2-ylamino)-2-[3-(difluoromethyl)phenyl]ethanol (PubChem CID 115528120) has the molecular formula C13H19F2NO and a molecular weight of 243.30 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-2-[3-(difluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(butan-2-ylamino)-2-[3-(difluoromethyl)phenyl]ethanol
PubChem CID115528120
Molecular FormulaC13H19F2NO
Molecular Weight243.30 g/mol
Exact Mass243.14
IUPAC Name2-(butan-2-ylamino)-2-[3-(difluoromethyl)phenyl]ethanol
SMILESCCC(C)NC(CO)c1cccc(C(F)F)c1
InChIInChI=1S/C13H19F2NO/c1-3-9(2)16-12(8-17)10-5-4-6-11(7-10)13(14)15/h4-7,9,12-13,16-17H,3,8H2,1-2H3
InChIKeyVVJJPBVFURXHCE-UHFFFAOYSA-N
XLogP3.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(difluoromethyl)phenyl]-2-(propan-2-ylamino)ethanol
CID 115528119
4-[1-(butan-2-ylamino)-2-hydroxyethyl]-2-fluorophenol
CID 107693456
N-[1-(3-bromophenyl)propyl]butan-2-amine
CID 43756359
2-[3-(difluoromethyl)phenyl]-2-(2-methylanilino)ethanol
CID 115528113
(2R)-2-[1-(3-methoxyphenyl)propylamino]propan-1-ol
CID 103778510
2-(butan-2-ylamino)-2-(3-chloro-5-fluorophenyl)ethanol
CID 114454318
N-butan-2-yl-1-[4-(difluoromethyl)phenyl]ethane-1,2-diamine
CID 115524378
2-(3-bromophenyl)-2-(pentan-3-ylamino)ethanol
CID 115894663
2-(2-chloroanilino)-2-[3-(difluoromethyl)phenyl]ethanol
CID 115528114
(2R)-2-amino-2-[3-(difluoromethyl)phenyl]ethanol
CID 66514168
(2R)-2-[1-(3-fluorophenyl)propan-2-ylamino]-2-phenylethanol
CID 103788672
2-(butan-2-ylamino)-2-(4-propoxyphenyl)ethanol
CID 62496976

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-2-[3-(difluoromethyl)phenyl]ethanol?
The IUPAC name of 2-(butan-2-ylamino)-2-[3-(difluoromethyl)phenyl]ethanol (CID 115528120) is 2-(butan-2-ylamino)-2-[3-(difluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-(butan-2-ylamino)-2-[3-(difluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-(butan-2-ylamino)-2-[3-(difluoromethyl)phenyl]ethanol is CCC(C)NC(CO)c1cccc(C(F)F)c1.
What is the InChIKey of 2-(butan-2-ylamino)-2-[3-(difluoromethyl)phenyl]ethanol?
The InChIKey is VVJJPBVFURXHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO/c1-3-9(2)16-12(8-17)10-5-4-6-11(7-10)13(14)15/h4-7,9,12-13,16-17H,3,8H2,1-2H3.
What are the key properties of 2-(butan-2-ylamino)-2-[3-(difluoromethyl)phenyl]ethanol?
2-(butan-2-ylamino)-2-[3-(difluoromethyl)phenyl]ethanol has a molecular weight of 243.30 g/mol, XLogP of 3.05, 6 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-[3-(difluoromethyl)phenyl]ethanol is sourced from PubChem (CID 115528120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).