3-(1-aminoethyl)-2-fluoro-5-methylphenol

C9H12FNO — CID 117276714

IUPAC3-(1-aminoethyl)-2-fluoro-5-methylphenol
SMILESCc1cc(O)c(F)c(C(C)N)c1
InChIInChI=1S/C9H12FNO/c1-5-3-7(6(2)11)9(10)8(12)4-5/h3-4,6,12H,11H2,1-2H3
InChIKeyFODHHNQQXXXKDF-UHFFFAOYSA-N
MW169.20 g/mol
LogP1.86
Rot. Bonds1

About 3-(1-aminoethyl)-2-fluoro-5-methylphenol

3-(1-aminoethyl)-2-fluoro-5-methylphenol (PubChem CID 117276714) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is 3-(1-aminoethyl)-2-fluoro-5-methylphenol.

Molecular Properties

Compound Name3-(1-aminoethyl)-2-fluoro-5-methylphenol
PubChem CID117276714
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC Name3-(1-aminoethyl)-2-fluoro-5-methylphenol
SMILESCc1cc(O)c(F)c(C(C)N)c1
InChIInChI=1S/C9H12FNO/c1-5-3-7(6(2)11)9(10)8(12)4-5/h3-4,6,12H,11H2,1-2H3
InChIKeyFODHHNQQXXXKDF-UHFFFAOYSA-N
XLogP1.86
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(1-aminoethyl)-2-fluoro-5-methylphenol 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-fluoro-3-(1-hydroxyethyl)-5-methylphenol
CID 117276803
2-[(1R)-1-aminoethyl]-4,5-difluorophenol
CID 55275252
(1R)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 45072341
2-[(1R)-1-aminoethyl]-3,5-dimethylphenol
CID 55276249
(1S)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 45072344
3-(1-aminoethyl)-2-hydroxy-5-methylbenzoic acid
CID 130826868
4-amino-5-[(1R)-1-aminoethyl]-2-fluorophenol
CID 130643013
3-cyclopropyl-3-(2-fluoro-3-hydroxy-5-methylphenyl)propanoic acid
CID 117348794
1-(2,3-difluoro-5-propan-2-ylphenyl)ethanamine
CID 117288734
1-(2-fluoro-3,5-dimethylphenyl)ethanol
CID 83988897
2-fluoro-3-(hydroxymethyl)-5-methylphenol
CID 117276057
2-[(1R)-1-amino-2-fluoroethyl]-6-fluoro-4-methylphenol
CID 131052800

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-2-fluoro-5-methylphenol?
The IUPAC name of 3-(1-aminoethyl)-2-fluoro-5-methylphenol (CID 117276714) is 3-(1-aminoethyl)-2-fluoro-5-methylphenol.
What is the SMILES notation for 3-(1-aminoethyl)-2-fluoro-5-methylphenol?
The canonical SMILES for 3-(1-aminoethyl)-2-fluoro-5-methylphenol is Cc1cc(O)c(F)c(C(C)N)c1.
What is the InChIKey of 3-(1-aminoethyl)-2-fluoro-5-methylphenol?
The InChIKey is FODHHNQQXXXKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO/c1-5-3-7(6(2)11)9(10)8(12)4-5/h3-4,6,12H,11H2,1-2H3.
What are the key properties of 3-(1-aminoethyl)-2-fluoro-5-methylphenol?
3-(1-aminoethyl)-2-fluoro-5-methylphenol has a molecular weight of 169.20 g/mol, XLogP of 1.86, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-2-fluoro-5-methylphenol is sourced from PubChem (CID 117276714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).