3-(1-aminopropyl)-5-fluorophenol

C9H12FNO — CID 55283681

IUPAC3-(1-aminopropyl)-5-fluorophenol
SMILESCCC(N)c1cc(O)cc(F)c1
InChIInChI=1S/C9H12FNO/c1-2-9(11)6-3-7(10)5-8(12)4-6/h3-5,9,12H,2,11H2,1H3
InChIKeyPXWWFJAVTXKMOC-UHFFFAOYSA-N
MW169.20 g/mol
LogP1.94
Rot. Bonds2

About 3-(1-aminopropyl)-5-fluorophenol

3-(1-aminopropyl)-5-fluorophenol (PubChem CID 55283681) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is 3-(1-aminopropyl)-5-fluorophenol.

Molecular Properties

Compound Name3-(1-aminopropyl)-5-fluorophenol
PubChem CID55283681
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC Name3-(1-aminopropyl)-5-fluorophenol
SMILESCCC(N)c1cc(O)cc(F)c1
InChIInChI=1S/C9H12FNO/c1-2-9(11)6-3-7(10)5-8(12)4-6/h3-5,9,12H,2,11H2,1H3
InChIKeyPXWWFJAVTXKMOC-UHFFFAOYSA-N
XLogP1.94
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(1-aminopropyl)-5-fluorophenol 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

1-(3-fluoro-5-methylphenyl)propan-1-amine
CID 55282781
3-[(1S)-1-amino-2-cyclopropylethyl]-5-fluorophenol
CID 130657885
3-[(1R)-1-amino-2-methylpropyl]-5-fluorophenol
CID 55274065
(1S)-1-(3,4,5-trifluorophenyl)propan-1-amine
CID 55255857
(1S)-1-(3-fluorophenyl)propan-1-amine
CID 40786964
3-[(1S)-1-aminopropyl]phenol;hydrochloride
CID 138989201
(2S)-2-amino-2-(3,5-difluorophenyl)ethanol
CID 55278901
5-[(1S)-1-aminobutyl]benzene-1,3-diol;hydrochloride
CID 171219418
3-ethyl-1-(3-fluoro-5-methylphenyl)pentan-1-amine
CID 82922751
1-(3,5-difluorophenyl)hexan-1-amine
CID 62605213
1-amino-1-(3,5-difluorophenyl)butan-2-ol
CID 130150345
4-[(1R)-1-aminopropyl]-2,6-dimethoxyphenol
CID 171199776

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminopropyl)-5-fluorophenol?
The IUPAC name of 3-(1-aminopropyl)-5-fluorophenol (CID 55283681) is 3-(1-aminopropyl)-5-fluorophenol.
What is the SMILES notation for 3-(1-aminopropyl)-5-fluorophenol?
The canonical SMILES for 3-(1-aminopropyl)-5-fluorophenol is CCC(N)c1cc(O)cc(F)c1.
What is the InChIKey of 3-(1-aminopropyl)-5-fluorophenol?
The InChIKey is PXWWFJAVTXKMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO/c1-2-9(11)6-3-7(10)5-8(12)4-6/h3-5,9,12H,2,11H2,1H3.
What are the key properties of 3-(1-aminopropyl)-5-fluorophenol?
3-(1-aminopropyl)-5-fluorophenol has a molecular weight of 169.20 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminopropyl)-5-fluorophenol is sourced from PubChem (CID 55283681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).