2-[3-(aminomethyl)-4-fluorophenyl]ethanamine

C9H13FN2 — CID 55255604

IUPAC2-[3-(aminomethyl)-4-fluorophenyl]ethanamine
SMILESNCCc1ccc(F)c(CN)c1
InChIInChI=1S/C9H13FN2/c10-9-2-1-7(3-4-11)5-8(9)6-12/h1-2,5H,3-4,6,11-12H2
InChIKeyOMQVJRZNVGDZCI-UHFFFAOYSA-N
MW168.21 g/mol
LogP0.79
Rot. Bonds3

About 2-[3-(aminomethyl)-4-fluorophenyl]ethanamine

2-[3-(aminomethyl)-4-fluorophenyl]ethanamine (PubChem CID 55255604) has the molecular formula C9H13FN2 and a molecular weight of 168.21 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-4-fluorophenyl]ethanamine.

Molecular Properties

Compound Name2-[3-(aminomethyl)-4-fluorophenyl]ethanamine
PubChem CID55255604
Molecular FormulaC9H13FN2
Molecular Weight168.21 g/mol
Exact Mass168.11
IUPAC Name2-[3-(aminomethyl)-4-fluorophenyl]ethanamine
SMILESNCCc1ccc(F)c(CN)c1
InChIInChI=1S/C9H13FN2/c10-9-2-1-7(3-4-11)5-8(9)6-12/h1-2,5H,3-4,6,11-12H2
InChIKeyOMQVJRZNVGDZCI-UHFFFAOYSA-N
XLogP0.79
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[3-(aminomethyl)-4-fluorophenyl]ethanamine 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

[3-(aminomethyl)-4-fluorophenyl]methanamine
CID 62072221
2-(3,4-difluorophenyl)ethanamine;hydrochloride
CID 66523804
4-(2-aminoethyl)-2-(aminomethyl)phenol
CID 105433039
[5-[(4-bromophenyl)methoxymethyl]-2-fluorophenyl]methanamine
CID 107879069
[2-fluoro-5-[(4-fluorophenyl)sulfonylmethyl]phenyl]methanamine
CID 107881466
[2-fluoro-5-(3-methylbutan-2-ylsulfanylmethyl)phenyl]methanamine
CID 107880581
[5-[(2,4-difluorophenyl)sulfanylmethyl]-2-fluorophenyl]methanamine
CID 107880481
(2-fluoro-5-methylphenyl)methanamine;hydrochloride
CID 117064774
2-(4-bromo-3-fluorophenyl)ethanamine
CID 66915310
3-[4-(aminomethyl)-3-fluorophenyl]propan-1-amine;dihydrochloride
CID 22743258
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-methylcyclobutanamine
CID 107878648
[2-fluoro-5-(thiomorpholin-4-ylmethyl)phenyl]methanamine
CID 107878107

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-4-fluorophenyl]ethanamine?
The IUPAC name of 2-[3-(aminomethyl)-4-fluorophenyl]ethanamine (CID 55255604) is 2-[3-(aminomethyl)-4-fluorophenyl]ethanamine.
What is the SMILES notation for 2-[3-(aminomethyl)-4-fluorophenyl]ethanamine?
The canonical SMILES for 2-[3-(aminomethyl)-4-fluorophenyl]ethanamine is NCCc1ccc(F)c(CN)c1.
What is the InChIKey of 2-[3-(aminomethyl)-4-fluorophenyl]ethanamine?
The InChIKey is OMQVJRZNVGDZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2/c10-9-2-1-7(3-4-11)5-8(9)6-12/h1-2,5H,3-4,6,11-12H2.
What are the key properties of 2-[3-(aminomethyl)-4-fluorophenyl]ethanamine?
2-[3-(aminomethyl)-4-fluorophenyl]ethanamine has a molecular weight of 168.21 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-4-fluorophenyl]ethanamine is sourced from PubChem (CID 55255604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).