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

C13H19F2NO — CID 116993040

IUPAC2-amino-1-[3-(1,1-difluoro-3-methylbutyl)phenyl]ethanol
SMILESCC(C)CC(F)(F)c1cccc(C(O)CN)c1
InChIInChI=1S/C13H19F2NO/c1-9(2)7-13(14,15)11-5-3-4-10(6-11)12(17)8-16/h3-6,9,12,17H,7-8,16H2,1-2H3
InChIKeyAPAYTAHJAPXODJ-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.82
Rot. Bonds5

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

2-amino-1-[3-(1,1-difluoro-3-methylbutyl)phenyl]ethanol (PubChem CID 116993040) has the molecular formula C13H19F2NO and a molecular weight of 243.30 g/mol. Its IUPAC name is 2-amino-1-[3-(1,1-difluoro-3-methylbutyl)phenyl]ethanol.

Molecular Properties

Compound Name2-amino-1-[3-(1,1-difluoro-3-methylbutyl)phenyl]ethanol
PubChem CID116993040
Molecular FormulaC13H19F2NO
Molecular Weight243.30 g/mol
Exact Mass243.14
IUPAC Name2-amino-1-[3-(1,1-difluoro-3-methylbutyl)phenyl]ethanol
SMILESCC(C)CC(F)(F)c1cccc(C(O)CN)c1
InChIInChI=1S/C13H19F2NO/c1-9(2)7-13(14,15)11-5-3-4-10(6-11)12(17)8-16/h3-6,9,12,17H,7-8,16H2,1-2H3
InChIKeyAPAYTAHJAPXODJ-UHFFFAOYSA-N
XLogP2.82
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-1-[3-(1,1-difluoro-3-methylbutyl)phenyl]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-amino-1-[3-(1,1-difluoro-2-methylpropyl)phenyl]ethanol
CID 116992716
2-amino-1-[3-(trifluoromethyl)phenyl]ethanol
CID 30514
1-bromo-3-(1,1-difluoro-3-methylbutyl)benzene
CID 116993062
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-ol
CID 63890426
2-(propan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60903667
[1-[3-(1,1-difluoro-3-methylbutyl)phenyl]cyclopropyl]methanamine
CID 116993044
2-(1-pyridin-2-ylethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 110896910
1-amino-6-methyl-2-[3-(trifluoromethyl)phenyl]heptan-3-ol
CID 65190701
2-[3-(1,1-difluoro-2-methylpropyl)phenyl]propan-1-amine
CID 116992645
2-[3-(2-fluoropropan-2-yl)phenyl]propan-1-amine
CID 84666450
2-amino-1-[3-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 122199367
N-(2-methylpropyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 65384986

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(1,1-difluoro-3-methylbutyl)phenyl]ethanol?
The IUPAC name of 2-amino-1-[3-(1,1-difluoro-3-methylbutyl)phenyl]ethanol (CID 116993040) is 2-amino-1-[3-(1,1-difluoro-3-methylbutyl)phenyl]ethanol.
What is the SMILES notation for 2-amino-1-[3-(1,1-difluoro-3-methylbutyl)phenyl]ethanol?
The canonical SMILES for 2-amino-1-[3-(1,1-difluoro-3-methylbutyl)phenyl]ethanol is CC(C)CC(F)(F)c1cccc(C(O)CN)c1.
What is the InChIKey of 2-amino-1-[3-(1,1-difluoro-3-methylbutyl)phenyl]ethanol?
The InChIKey is APAYTAHJAPXODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO/c1-9(2)7-13(14,15)11-5-3-4-10(6-11)12(17)8-16/h3-6,9,12,17H,7-8,16H2,1-2H3.
What are the key properties of 2-amino-1-[3-(1,1-difluoro-3-methylbutyl)phenyl]ethanol?
2-amino-1-[3-(1,1-difluoro-3-methylbutyl)phenyl]ethanol has a molecular weight of 243.30 g/mol, XLogP of 2.82, 5 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-3-methylbutyl)phenyl]ethanol is sourced from PubChem (CID 116993040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).