2-(3,4-difluorophenyl)-2-(2-methylpropylamino)ethanol

C12H17F2NO — CID 61055745

IUPAC2-(3,4-difluorophenyl)-2-(2-methylpropylamino)ethanol
SMILESCC(C)CNC(CO)c1ccc(F)c(F)c1
InChIInChI=1S/C12H17F2NO/c1-8(2)6-15-12(7-16)9-3-4-10(13)11(14)5-9/h3-5,8,12,15-16H,6-7H2,1-2H3
InChIKeyGBRILJGWMMTNCF-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.24
Rot. Bonds5

About 2-(3,4-difluorophenyl)-2-(2-methylpropylamino)ethanol

2-(3,4-difluorophenyl)-2-(2-methylpropylamino)ethanol (PubChem CID 61055745) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-2-(2-methylpropylamino)ethanol.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-2-(2-methylpropylamino)ethanol
PubChem CID61055745
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name2-(3,4-difluorophenyl)-2-(2-methylpropylamino)ethanol
SMILESCC(C)CNC(CO)c1ccc(F)c(F)c1
InChIInChI=1S/C12H17F2NO/c1-8(2)6-15-12(7-16)9-3-4-10(13)11(14)5-9/h3-5,8,12,15-16H,6-7H2,1-2H3
InChIKeyGBRILJGWMMTNCF-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluoro-3-methylphenyl)-2-(2-methylpropylamino)ethanol
CID 62120119
2-(4-bromo-3-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 81441071
2-[4-(difluoromethyl)phenyl]-2-(2-methylpropylamino)ethanol
CID 113328529
2-(3-methylphenyl)-2-(2-methylpropylamino)ethanol
CID 61055543
2-(ethylamino)-2-(4-fluoro-3-methylphenyl)ethanol
CID 62119943
2-(2-methylpropylamino)-2-(2-methylquinolin-6-yl)ethanol
CID 105379246
2-(2-methylpropylamino)-2-quinolin-6-ylethanol
CID 63968528
2-(2,3-difluorophenyl)-2-(2-methylpropylamino)ethanol
CID 63667429
2-(3,4-difluorophenyl)-2-(dimethylamino)ethanol
CID 54776114
2-(2-chloro-6-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 61054951
1-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-(2-methylpropyl)urea
CID 51650211
2-(2-bromo-5-chlorophenyl)-2-(2-methylpropylamino)ethanol
CID 66156487

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-2-(2-methylpropylamino)ethanol?
The IUPAC name of 2-(3,4-difluorophenyl)-2-(2-methylpropylamino)ethanol (CID 61055745) is 2-(3,4-difluorophenyl)-2-(2-methylpropylamino)ethanol.
What is the SMILES notation for 2-(3,4-difluorophenyl)-2-(2-methylpropylamino)ethanol?
The canonical SMILES for 2-(3,4-difluorophenyl)-2-(2-methylpropylamino)ethanol is CC(C)CNC(CO)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-2-(2-methylpropylamino)ethanol?
The InChIKey is GBRILJGWMMTNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-8(2)6-15-12(7-16)9-3-4-10(13)11(14)5-9/h3-5,8,12,15-16H,6-7H2,1-2H3.
What are the key properties of 2-(3,4-difluorophenyl)-2-(2-methylpropylamino)ethanol?
2-(3,4-difluorophenyl)-2-(2-methylpropylamino)ethanol has a molecular weight of 229.27 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-2-(2-methylpropylamino)ethanol is sourced from PubChem (CID 61055745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).