[3-(aminomethyl)-4-fluorophenyl]methanamine

C8H11FN2 — CID 62072221

IUPAC[3-(aminomethyl)-4-fluorophenyl]methanamine
SMILESNCc1ccc(F)c(CN)c1
InChIInChI=1S/C8H11FN2/c9-8-2-1-6(4-10)3-7(8)5-11/h1-3H,4-5,10-11H2
InChIKeySFWQKWORNZIKDY-UHFFFAOYSA-N
MW154.19 g/mol
LogP0.74
Rot. Bonds2

About [3-(aminomethyl)-4-fluorophenyl]methanamine

[3-(aminomethyl)-4-fluorophenyl]methanamine (PubChem CID 62072221) has the molecular formula C8H11FN2 and a molecular weight of 154.19 g/mol. Its IUPAC name is [3-(aminomethyl)-4-fluorophenyl]methanamine.

Molecular Properties

Compound Name[3-(aminomethyl)-4-fluorophenyl]methanamine
PubChem CID62072221
Molecular FormulaC8H11FN2
Molecular Weight154.19 g/mol
Exact Mass154.09
IUPAC Name[3-(aminomethyl)-4-fluorophenyl]methanamine
SMILESNCc1ccc(F)c(CN)c1
InChIInChI=1S/C8H11FN2/c9-8-2-1-6(4-10)3-7(8)5-11/h1-3H,4-5,10-11H2
InChIKeySFWQKWORNZIKDY-UHFFFAOYSA-N
XLogP0.74
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(aminomethyl)-4-fluorophenyl]ethanamine
CID 55255604
[4-fluoro-3-[(2-fluorophenyl)methoxymethyl]phenyl]methanamine
CID 63934665
[4-fluoro-3-(piperidin-1-ylmethyl)phenyl]methanamine
CID 18071220
[5-[(4-bromophenyl)methoxymethyl]-2-fluorophenyl]methanamine
CID 107879069
[4-fluoro-3-[(2,3,5,6-tetrafluorophenoxy)methyl]phenyl]methanamine
CID 103289061
[4-fluoro-3-(propylsulfanylmethyl)phenyl]methanamine
CID 43530076
[4-fluoro-3-(phenylsulfanylmethyl)phenyl]methanamine
CID 43530140
5-(aminomethyl)-2-fluorobenzenethiol
CID 90352898
[2-fluoro-5-[(4-fluorophenyl)sulfonylmethyl]phenyl]methanamine
CID 107881466
[2-fluoro-5-(3-methylbutan-2-ylsulfanylmethyl)phenyl]methanamine
CID 107880581
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N,3-dimethylbutan-2-amine
CID 43569716
[5-[(2,4-difluorophenyl)sulfanylmethyl]-2-fluorophenyl]methanamine
CID 107880481

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-4-fluorophenyl]methanamine?
The IUPAC name of [3-(aminomethyl)-4-fluorophenyl]methanamine (CID 62072221) is [3-(aminomethyl)-4-fluorophenyl]methanamine.
What is the SMILES notation for [3-(aminomethyl)-4-fluorophenyl]methanamine?
The canonical SMILES for [3-(aminomethyl)-4-fluorophenyl]methanamine is NCc1ccc(F)c(CN)c1.
What is the InChIKey of [3-(aminomethyl)-4-fluorophenyl]methanamine?
The InChIKey is SFWQKWORNZIKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2/c9-8-2-1-6(4-10)3-7(8)5-11/h1-3H,4-5,10-11H2.
What are the key properties of [3-(aminomethyl)-4-fluorophenyl]methanamine?
[3-(aminomethyl)-4-fluorophenyl]methanamine has a molecular weight of 154.19 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-4-fluorophenyl]methanamine is sourced from PubChem (CID 62072221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).