2-(aminomethyl)-3-fluoroaniline

C7H9FN2 — CID 578998

IUPAC2-(aminomethyl)-3-fluoroaniline
SMILESNCc1c(N)cccc1F
InChIInChI=1S/C7H9FN2/c8-6-2-1-3-7(10)5(6)4-9/h1-3H,4,9-10H2
InChIKeyKBIXYFABFIYSAU-UHFFFAOYSA-N
MW140.16 g/mol
LogP0.87
Rot. Bonds1

About 2-(aminomethyl)-3-fluoroaniline

2-(aminomethyl)-3-fluoroaniline (PubChem CID 578998) has the molecular formula C7H9FN2 and a molecular weight of 140.16 g/mol. Its IUPAC name is 2-(aminomethyl)-3-fluoroaniline.

Molecular Properties

Compound Name2-(aminomethyl)-3-fluoroaniline
PubChem CID578998
Molecular FormulaC7H9FN2
Molecular Weight140.16 g/mol
Exact Mass140.07
IUPAC Name2-(aminomethyl)-3-fluoroaniline
SMILESNCc1c(N)cccc1F
InChIInChI=1S/C7H9FN2/c8-6-2-1-3-7(10)5(6)4-9/h1-3H,4,9-10H2
InChIKeyKBIXYFABFIYSAU-UHFFFAOYSA-N
XLogP0.87
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.16
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-fluoroaniline?
The IUPAC name of 2-(aminomethyl)-3-fluoroaniline (CID 578998) is 2-(aminomethyl)-3-fluoroaniline.
What is the SMILES notation for 2-(aminomethyl)-3-fluoroaniline?
The canonical SMILES for 2-(aminomethyl)-3-fluoroaniline is NCc1c(N)cccc1F.
What is the InChIKey of 2-(aminomethyl)-3-fluoroaniline?
The InChIKey is KBIXYFABFIYSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2/c8-6-2-1-3-7(10)5(6)4-9/h1-3H,4,9-10H2.
What are the key properties of 2-(aminomethyl)-3-fluoroaniline?
2-(aminomethyl)-3-fluoroaniline has a molecular weight of 140.16 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-fluoroaniline is sourced from PubChem (CID 578998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).