1-[4-(aminomethyl)-3-fluorophenyl]ethanol

C9H12FNO — CID 59911875

IUPAC1-[4-(aminomethyl)-3-fluorophenyl]ethanol
SMILESCC(O)c1ccc(CN)c(F)c1
InChIInChI=1S/C9H12FNO/c1-6(12)7-2-3-8(5-11)9(10)4-7/h2-4,6,12H,5,11H2,1H3
InChIKeyIQKKJKBNMOBHDB-UHFFFAOYSA-N
MW169.20 g/mol
LogP1.34
Rot. Bonds2

About 1-[4-(aminomethyl)-3-fluorophenyl]ethanol

1-[4-(aminomethyl)-3-fluorophenyl]ethanol (PubChem CID 59911875) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-3-fluorophenyl]ethanol.

Molecular Properties

Compound Name1-[4-(aminomethyl)-3-fluorophenyl]ethanol
PubChem CID59911875
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC Name1-[4-(aminomethyl)-3-fluorophenyl]ethanol
SMILESCC(O)c1ccc(CN)c(F)c1
InChIInChI=1S/C9H12FNO/c1-6(12)7-2-3-8(5-11)9(10)4-7/h2-4,6,12H,5,11H2,1H3
InChIKeyIQKKJKBNMOBHDB-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[4-(aminomethyl)-3-fluorophenyl]ethanol 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 1-[4-(aminomethyl)-3-fluorophenyl]ethanol?
The IUPAC name of 1-[4-(aminomethyl)-3-fluorophenyl]ethanol (CID 59911875) is 1-[4-(aminomethyl)-3-fluorophenyl]ethanol.
What is the SMILES notation for 1-[4-(aminomethyl)-3-fluorophenyl]ethanol?
The canonical SMILES for 1-[4-(aminomethyl)-3-fluorophenyl]ethanol is CC(O)c1ccc(CN)c(F)c1.
What is the InChIKey of 1-[4-(aminomethyl)-3-fluorophenyl]ethanol?
The InChIKey is IQKKJKBNMOBHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO/c1-6(12)7-2-3-8(5-11)9(10)4-7/h2-4,6,12H,5,11H2,1H3.
What are the key properties of 1-[4-(aminomethyl)-3-fluorophenyl]ethanol?
1-[4-(aminomethyl)-3-fluorophenyl]ethanol has a molecular weight of 169.20 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-3-fluorophenyl]ethanol is sourced from PubChem (CID 59911875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).