2-(1-aminoethyl)-3,4-difluorophenol

C8H9F2NO — CID 84654585

IUPAC2-(1-aminoethyl)-3,4-difluorophenol
SMILESCC(N)c1c(O)ccc(F)c1F
InChIInChI=1S/C8H9F2NO/c1-4(11)7-6(12)3-2-5(9)8(7)10/h2-4,12H,11H2,1H3
InChIKeyGDNMSISGGZESLV-UHFFFAOYSA-N
MW173.16 g/mol
LogP1.69
Rot. Bonds1

About 2-(1-aminoethyl)-3,4-difluorophenol

2-(1-aminoethyl)-3,4-difluorophenol (PubChem CID 84654585) has the molecular formula C8H9F2NO and a molecular weight of 173.16 g/mol. Its IUPAC name is 2-(1-aminoethyl)-3,4-difluorophenol.

Molecular Properties

Compound Name2-(1-aminoethyl)-3,4-difluorophenol
PubChem CID84654585
Molecular FormulaC8H9F2NO
Molecular Weight173.16 g/mol
Exact Mass173.07
IUPAC Name2-(1-aminoethyl)-3,4-difluorophenol
SMILESCC(N)c1c(O)ccc(F)c1F
InChIInChI=1S/C8H9F2NO/c1-4(11)7-6(12)3-2-5(9)8(7)10/h2-4,12H,11H2,1H3
InChIKeyGDNMSISGGZESLV-UHFFFAOYSA-N
XLogP1.69
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.16
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3,4-difluoro-2-propan-2-ylphenol
CID 130384199
2-(1-aminoethyl)-4-bromo-3-fluorophenol
CID 84697321
1-(6-chloro-2,3-difluorophenyl)ethanamine
CID 130512093
methyl 2-(2,3-difluoro-6-hydroxyphenyl)-2-hydroxyacetate
CID 117310490
3-(2,3-difluoro-6-hydroxyphenyl)butanoic acid
CID 83886950
2-(3-amino-1-hydroxypropyl)-3,4-difluorophenol
CID 84671264
3-(2-amino-1-hydroxypropyl)-2,4-difluorophenol
CID 84777095
2,4-difluoro-3-propan-2-ylphenol
CID 147438122
1-(2,6-difluoro-3-methylphenyl)ethanamine
CID 55283283
2-amino-1-(2,3-difluoro-6-hydroxyphenyl)propan-1-one
CID 84669836
6-[(1S)-1-aminoethyl]-2,3-difluorophenol;hydrochloride
CID 171253098
2-[(1S)-1-aminoethyl]-3-fluoro-6-methylphenol;hydrochloride
CID 171253947

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-3,4-difluorophenol?
The IUPAC name of 2-(1-aminoethyl)-3,4-difluorophenol (CID 84654585) is 2-(1-aminoethyl)-3,4-difluorophenol.
What is the SMILES notation for 2-(1-aminoethyl)-3,4-difluorophenol?
The canonical SMILES for 2-(1-aminoethyl)-3,4-difluorophenol is CC(N)c1c(O)ccc(F)c1F.
What is the InChIKey of 2-(1-aminoethyl)-3,4-difluorophenol?
The InChIKey is GDNMSISGGZESLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO/c1-4(11)7-6(12)3-2-5(9)8(7)10/h2-4,12H,11H2,1H3.
What are the key properties of 2-(1-aminoethyl)-3,4-difluorophenol?
2-(1-aminoethyl)-3,4-difluorophenol has a molecular weight of 173.16 g/mol, XLogP of 1.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-3,4-difluorophenol is sourced from PubChem (CID 84654585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).