3-(aminomethyl)-4-fluorophenol;hydrochloride

C7H9ClFNO — CID 154853252

IUPAC3-(aminomethyl)-4-fluorophenol;hydrochloride
SMILESCl.NCc1cc(O)ccc1F
InChIInChI=1S/C7H8FNO.ClH/c8-7-2-1-6(10)3-5(7)4-9;/h1-3,10H,4,9H2;1H
InChIKeySDYVABRQMIKKJN-UHFFFAOYSA-N
MW177.61 g/mol
LogP1.41
Rot. Bonds1

About 3-(aminomethyl)-4-fluorophenol;hydrochloride

3-(aminomethyl)-4-fluorophenol;hydrochloride (PubChem CID 154853252) has the molecular formula C7H9ClFNO and a molecular weight of 177.61 g/mol. Its IUPAC name is 3-(aminomethyl)-4-fluorophenol;hydrochloride.

Molecular Properties

Compound Name3-(aminomethyl)-4-fluorophenol;hydrochloride
PubChem CID154853252
Molecular FormulaC7H9ClFNO
Molecular Weight177.61 g/mol
Exact Mass177.04
IUPAC Name3-(aminomethyl)-4-fluorophenol;hydrochloride
SMILESCl.NCc1cc(O)ccc1F
InChIInChI=1S/C7H8FNO.ClH/c8-7-2-1-6(10)3-5(7)4-9;/h1-3,10H,4,9H2;1H
InChIKeySDYVABRQMIKKJN-UHFFFAOYSA-N
XLogP1.41
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.61
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(aminomethyl)-4-fluorophenol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-fluorophenol;hydrochloride?
The IUPAC name of 3-(aminomethyl)-4-fluorophenol;hydrochloride (CID 154853252) is 3-(aminomethyl)-4-fluorophenol;hydrochloride.
What is the SMILES notation for 3-(aminomethyl)-4-fluorophenol;hydrochloride?
The canonical SMILES for 3-(aminomethyl)-4-fluorophenol;hydrochloride is Cl.NCc1cc(O)ccc1F.
What is the InChIKey of 3-(aminomethyl)-4-fluorophenol;hydrochloride?
The InChIKey is SDYVABRQMIKKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO.ClH/c8-7-2-1-6(10)3-5(7)4-9;/h1-3,10H,4,9H2;1H.
What are the key properties of 3-(aminomethyl)-4-fluorophenol;hydrochloride?
3-(aminomethyl)-4-fluorophenol;hydrochloride has a molecular weight of 177.61 g/mol, XLogP of 1.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-fluorophenol;hydrochloride is sourced from PubChem (CID 154853252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).