2-[3-(difluoromethyl)phenyl]-2-(2-methylanilino)ethanol

C16H17F2NO — CID 115528113

IUPAC2-[3-(difluoromethyl)phenyl]-2-(2-methylanilino)ethanol
SMILESCc1ccccc1NC(CO)c1cccc(C(F)F)c1
InChIInChI=1S/C16H17F2NO/c1-11-5-2-3-8-14(11)19-15(10-20)12-6-4-7-13(9-12)16(17)18/h2-9,15-16,19-20H,10H2,1H3
InChIKeyARYYBZOTVZOVKY-UHFFFAOYSA-N
MW277.31 g/mol
LogP4.08
Rot. Bonds5

About 2-[3-(difluoromethyl)phenyl]-2-(2-methylanilino)ethanol

2-[3-(difluoromethyl)phenyl]-2-(2-methylanilino)ethanol (PubChem CID 115528113) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)phenyl]-2-(2-methylanilino)ethanol.

Molecular Properties

Compound Name2-[3-(difluoromethyl)phenyl]-2-(2-methylanilino)ethanol
PubChem CID115528113
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name2-[3-(difluoromethyl)phenyl]-2-(2-methylanilino)ethanol
SMILESCc1ccccc1NC(CO)c1cccc(C(F)F)c1
InChIInChI=1S/C16H17F2NO/c1-11-5-2-3-8-14(11)19-15(10-20)12-6-4-7-13(9-12)16(17)18/h2-9,15-16,19-20H,10H2,1H3
InChIKeyARYYBZOTVZOVKY-UHFFFAOYSA-N
XLogP4.08
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)-2-(2-methylanilino)ethanol
CID 61047365
2-(3-bromophenyl)-2-(2-methylanilino)ethanol
CID 61045334
2-(2-chloroanilino)-2-[3-(difluoromethyl)phenyl]ethanol
CID 115528114
2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)ethanol
CID 106818134
2-[3-(difluoromethyl)phenyl]-2-(propan-2-ylamino)ethanol
CID 115528119
2-(4-chlorophenyl)-2-(2-methylanilino)ethanol
CID 61045329
5-[2-hydroxy-1-(2-methylanilino)ethyl]-2-methoxyphenol
CID 61047518
2-(butan-2-ylamino)-2-[3-(difluoromethyl)phenyl]ethanol
CID 115528120
2-(2-methylanilino)-2-naphthalen-1-ylethanol
CID 61047528
2-methyl-N-(3-methyl-1-phenylbutyl)aniline
CID 43108740
2-(2-methoxyphenyl)-2-(2-methylanilino)ethanol
CID 61047526
2-(2-fluoroanilino)-2-(3-propoxyphenyl)ethanol
CID 62500445

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)phenyl]-2-(2-methylanilino)ethanol?
The IUPAC name of 2-[3-(difluoromethyl)phenyl]-2-(2-methylanilino)ethanol (CID 115528113) is 2-[3-(difluoromethyl)phenyl]-2-(2-methylanilino)ethanol.
What is the SMILES notation for 2-[3-(difluoromethyl)phenyl]-2-(2-methylanilino)ethanol?
The canonical SMILES for 2-[3-(difluoromethyl)phenyl]-2-(2-methylanilino)ethanol is Cc1ccccc1NC(CO)c1cccc(C(F)F)c1.
What is the InChIKey of 2-[3-(difluoromethyl)phenyl]-2-(2-methylanilino)ethanol?
The InChIKey is ARYYBZOTVZOVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-11-5-2-3-8-14(11)19-15(10-20)12-6-4-7-13(9-12)16(17)18/h2-9,15-16,19-20H,10H2,1H3.
What are the key properties of 2-[3-(difluoromethyl)phenyl]-2-(2-methylanilino)ethanol?
2-[3-(difluoromethyl)phenyl]-2-(2-methylanilino)ethanol has a molecular weight of 277.31 g/mol, XLogP of 4.08, 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-(2-methylanilino)ethanol is sourced from PubChem (CID 115528113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).