2-amino-1-[4-(3,4-difluorophenyl)phenyl]ethanol

C14H13F2NO — CID 82296845

IUPAC2-amino-1-[4-(3,4-difluorophenyl)phenyl]ethanol
SMILESNCC(O)c1ccc(-c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C14H13F2NO/c15-12-6-5-11(7-13(12)16)9-1-3-10(4-2-9)14(18)8-17/h1-7,14,18H,8,17H2
InChIKeyMHWLTKVJUAXDKG-UHFFFAOYSA-N
MW249.26 g/mol
LogP2.62
Rot. Bonds3

About 2-amino-1-[4-(3,4-difluorophenyl)phenyl]ethanol

2-amino-1-[4-(3,4-difluorophenyl)phenyl]ethanol (PubChem CID 82296845) has the molecular formula C14H13F2NO and a molecular weight of 249.26 g/mol. Its IUPAC name is 2-amino-1-[4-(3,4-difluorophenyl)phenyl]ethanol.

Molecular Properties

Compound Name2-amino-1-[4-(3,4-difluorophenyl)phenyl]ethanol
PubChem CID82296845
Molecular FormulaC14H13F2NO
Molecular Weight249.26 g/mol
Exact Mass249.10
IUPAC Name2-amino-1-[4-(3,4-difluorophenyl)phenyl]ethanol
SMILESNCC(O)c1ccc(-c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C14H13F2NO/c15-12-6-5-11(7-13(12)16)9-1-3-10(4-2-9)14(18)8-17/h1-7,14,18H,8,17H2
InChIKeyMHWLTKVJUAXDKG-UHFFFAOYSA-N
XLogP2.62
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-1-[4-(3,4-difluorophenyl)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

3-[4-(3,4-difluorophenyl)phenyl]butan-1-amine
CID 82542632
2-amino-1-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]ethanol
CID 116966829
2-amino-1-[4-(3,4-difluorophenyl)pyrimidin-2-yl]ethanol
CID 116902253
[4-(3,4-difluorophenyl)phenyl]methanamine
CID 61033518
4-amino-1-(3,4-difluorophenyl)butan-1-ol
CID 82048635
2-amino-1-(4-methylphenyl)ethanol;ethane
CID 145260878
1-(3,4-difluorophenyl)ethane-1,2-diol
CID 71469386
2-(3,4-difluorophenyl)-3,3,3-trifluoropropan-1-amine
CID 82534396
[2-fluoro-5-(4-propan-2-ylphenyl)phenyl]methanamine
CID 61033431
2-amino-1-[3-(4-methylphenyl)phenyl]ethanol
CID 82287999
2-amino-1-[4-(1-hydroxyethyl)phenyl]ethanol
CID 117278888
(1R)-1-(3,4-difluorophenyl)propan-1-ol
CID 58995112

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(3,4-difluorophenyl)phenyl]ethanol?
The IUPAC name of 2-amino-1-[4-(3,4-difluorophenyl)phenyl]ethanol (CID 82296845) is 2-amino-1-[4-(3,4-difluorophenyl)phenyl]ethanol.
What is the SMILES notation for 2-amino-1-[4-(3,4-difluorophenyl)phenyl]ethanol?
The canonical SMILES for 2-amino-1-[4-(3,4-difluorophenyl)phenyl]ethanol is NCC(O)c1ccc(-c2ccc(F)c(F)c2)cc1.
What is the InChIKey of 2-amino-1-[4-(3,4-difluorophenyl)phenyl]ethanol?
The InChIKey is MHWLTKVJUAXDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO/c15-12-6-5-11(7-13(12)16)9-1-3-10(4-2-9)14(18)8-17/h1-7,14,18H,8,17H2.
What are the key properties of 2-amino-1-[4-(3,4-difluorophenyl)phenyl]ethanol?
2-amino-1-[4-(3,4-difluorophenyl)phenyl]ethanol has a molecular weight of 249.26 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(3,4-difluorophenyl)phenyl]ethanol is sourced from PubChem (CID 82296845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).