2-[4-(difluoromethyl)phenyl]-2-(2-methylpropylamino)ethanol

C13H19F2NO — CID 113328529

IUPAC2-[4-(difluoromethyl)phenyl]-2-(2-methylpropylamino)ethanol
SMILESCC(C)CNC(CO)c1ccc(C(F)F)cc1
InChIInChI=1S/C13H19F2NO/c1-9(2)7-16-12(8-17)10-3-5-11(6-4-10)13(14)15/h3-6,9,12-13,16-17H,7-8H2,1-2H3
InChIKeyZNEVRTOSMMJIAQ-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.90
Rot. Bonds6

About 2-[4-(difluoromethyl)phenyl]-2-(2-methylpropylamino)ethanol

2-[4-(difluoromethyl)phenyl]-2-(2-methylpropylamino)ethanol (PubChem CID 113328529) has the molecular formula C13H19F2NO and a molecular weight of 243.30 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)phenyl]-2-(2-methylpropylamino)ethanol.

Molecular Properties

Compound Name2-[4-(difluoromethyl)phenyl]-2-(2-methylpropylamino)ethanol
PubChem CID113328529
Molecular FormulaC13H19F2NO
Molecular Weight243.30 g/mol
Exact Mass243.14
IUPAC Name2-[4-(difluoromethyl)phenyl]-2-(2-methylpropylamino)ethanol
SMILESCC(C)CNC(CO)c1ccc(C(F)F)cc1
InChIInChI=1S/C13H19F2NO/c1-9(2)7-16-12(8-17)10-3-5-11(6-4-10)13(14)15/h3-6,9,12-13,16-17H,7-8H2,1-2H3
InChIKeyZNEVRTOSMMJIAQ-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[4-(difluoromethyl)phenyl]-2-(2-methylpropylamino)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-difluorophenyl)-2-(2-methylpropylamino)ethanol
CID 61055745
2-(4-fluoro-3-methylphenyl)-2-(2-methylpropylamino)ethanol
CID 62120119
2-[4-(difluoromethyl)phenyl]-2-(2-methoxyethylamino)ethanol
CID 113328532
2-(4-bromo-3-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 81441071
(2R)-2-[[4-(difluoromethyl)phenyl]methylamino]-2-phenylethanol
CID 104709077
2-(3-methylphenyl)-2-(2-methylpropylamino)ethanol
CID 61055543
2-(2,3-difluorophenyl)-2-(2-methylpropylamino)ethanol
CID 63667429
2-(2-methylpropylamino)-2-(2-methylquinolin-6-yl)ethanol
CID 105379246
2-(cyclopropylamino)-2-[4-(difluoromethyl)phenyl]ethanol
CID 115525129
2-(2-methylpropylamino)-2-quinolin-6-ylethanol
CID 63968528
N-[[4-(difluoromethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 115523367
2-(2-chloro-6-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 61054951

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)phenyl]-2-(2-methylpropylamino)ethanol?
The IUPAC name of 2-[4-(difluoromethyl)phenyl]-2-(2-methylpropylamino)ethanol (CID 113328529) is 2-[4-(difluoromethyl)phenyl]-2-(2-methylpropylamino)ethanol.
What is the SMILES notation for 2-[4-(difluoromethyl)phenyl]-2-(2-methylpropylamino)ethanol?
The canonical SMILES for 2-[4-(difluoromethyl)phenyl]-2-(2-methylpropylamino)ethanol is CC(C)CNC(CO)c1ccc(C(F)F)cc1.
What is the InChIKey of 2-[4-(difluoromethyl)phenyl]-2-(2-methylpropylamino)ethanol?
The InChIKey is ZNEVRTOSMMJIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO/c1-9(2)7-16-12(8-17)10-3-5-11(6-4-10)13(14)15/h3-6,9,12-13,16-17H,7-8H2,1-2H3.
What are the key properties of 2-[4-(difluoromethyl)phenyl]-2-(2-methylpropylamino)ethanol?
2-[4-(difluoromethyl)phenyl]-2-(2-methylpropylamino)ethanol has a molecular weight of 243.30 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)phenyl]-2-(2-methylpropylamino)ethanol is sourced from PubChem (CID 113328529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).