2-amino-1-[3-(1,1-difluoro-2-methylpropyl)phenyl]ethanol

C12H17F2NO — CID 116992716

IUPAC2-amino-1-[3-(1,1-difluoro-2-methylpropyl)phenyl]ethanol
SMILESCC(C)C(F)(F)c1cccc(C(O)CN)c1
InChIInChI=1S/C12H17F2NO/c1-8(2)12(13,14)10-5-3-4-9(6-10)11(16)7-15/h3-6,8,11,16H,7,15H2,1-2H3
InChIKeyVFGYIIXMTQDAIB-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.43
Rot. Bonds4

About 2-amino-1-[3-(1,1-difluoro-2-methylpropyl)phenyl]ethanol

2-amino-1-[3-(1,1-difluoro-2-methylpropyl)phenyl]ethanol (PubChem CID 116992716) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is 2-amino-1-[3-(1,1-difluoro-2-methylpropyl)phenyl]ethanol.

Molecular Properties

Compound Name2-amino-1-[3-(1,1-difluoro-2-methylpropyl)phenyl]ethanol
PubChem CID116992716
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name2-amino-1-[3-(1,1-difluoro-2-methylpropyl)phenyl]ethanol
SMILESCC(C)C(F)(F)c1cccc(C(O)CN)c1
InChIInChI=1S/C12H17F2NO/c1-8(2)12(13,14)10-5-3-4-9(6-10)11(16)7-15/h3-6,8,11,16H,7,15H2,1-2H3
InChIKeyVFGYIIXMTQDAIB-UHFFFAOYSA-N
XLogP2.43
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-[3-(trifluoromethyl)phenyl]ethanol
CID 30514
2-[3-(1,1-difluoro-2-methylpropyl)phenyl]propan-1-amine
CID 116992645
2-amino-1-[3-(1,1-difluoro-3-methylbutyl)phenyl]ethanol
CID 116993040
2-amino-2-[3-(1,1-difluoro-2-methylpropyl)phenyl]ethanol
CID 116992715
chloromethane;(1R)-1-[3-(1,1-difluoro-2-methylpropyl)phenyl]ethanamine
CID 164589400
2-[3-(1,1-difluoro-2-methylpropyl)phenyl]butan-1-ol
CID 116992734
2-amino-1-phenylethanol;ethane
CID 91425169
2-[3-(2-fluoropropan-2-yl)phenyl]propan-1-amine
CID 84666450
2-amino-1-[3-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 122199367
2-amino-1-[3-(diethylamino)phenyl]ethanol
CID 117297990
2-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanol
CID 62791843
2-[3-(1,1-difluoro-2-methylpropyl)phenyl]ethanol
CID 116992678

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(1,1-difluoro-2-methylpropyl)phenyl]ethanol?
The IUPAC name of 2-amino-1-[3-(1,1-difluoro-2-methylpropyl)phenyl]ethanol (CID 116992716) is 2-amino-1-[3-(1,1-difluoro-2-methylpropyl)phenyl]ethanol.
What is the SMILES notation for 2-amino-1-[3-(1,1-difluoro-2-methylpropyl)phenyl]ethanol?
The canonical SMILES for 2-amino-1-[3-(1,1-difluoro-2-methylpropyl)phenyl]ethanol is CC(C)C(F)(F)c1cccc(C(O)CN)c1.
What is the InChIKey of 2-amino-1-[3-(1,1-difluoro-2-methylpropyl)phenyl]ethanol?
The InChIKey is VFGYIIXMTQDAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-8(2)12(13,14)10-5-3-4-9(6-10)11(16)7-15/h3-6,8,11,16H,7,15H2,1-2H3.
What are the key properties of 2-amino-1-[3-(1,1-difluoro-2-methylpropyl)phenyl]ethanol?
2-amino-1-[3-(1,1-difluoro-2-methylpropyl)phenyl]ethanol has a molecular weight of 229.27 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-(1,1-difluoro-2-methylpropyl)phenyl]ethanol is sourced from PubChem (CID 116992716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).