4-(2-aminopropyl)-3-fluoroaniline

C9H13FN2 — CID 10103543

IUPAC4-(2-aminopropyl)-3-fluoroaniline
SMILESCC(N)Cc1ccc(N)cc1F
InChIInChI=1S/C9H13FN2/c1-6(11)4-7-2-3-8(12)5-9(7)10/h2-3,5-6H,4,11-12H2,1H3
InChIKeyADGRLNHEJFDROV-UHFFFAOYSA-N
MW168.22 g/mol
LogP1.30
Rot. Bonds2

About 4-(2-aminopropyl)-3-fluoroaniline

4-(2-aminopropyl)-3-fluoroaniline (PubChem CID 10103543) has the molecular formula C9H13FN2 and a molecular weight of 168.22 g/mol. Its IUPAC name is 4-(2-aminopropyl)-3-fluoroaniline.

Molecular Properties

Compound Name4-(2-aminopropyl)-3-fluoroaniline
PubChem CID10103543
Molecular FormulaC9H13FN2
Molecular Weight168.22 g/mol
Exact Mass168.11
IUPAC Name4-(2-aminopropyl)-3-fluoroaniline
SMILESCC(N)Cc1ccc(N)cc1F
InChIInChI=1S/C9H13FN2/c1-6(11)4-7-2-3-8(12)5-9(7)10/h2-3,5-6H,4,11-12H2,1H3
InChIKeyADGRLNHEJFDROV-UHFFFAOYSA-N
XLogP1.30
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 51.30
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 4-(2-aminopropyl)-3-fluoroaniline?
The IUPAC name of 4-(2-aminopropyl)-3-fluoroaniline (CID 10103543) is 4-(2-aminopropyl)-3-fluoroaniline.
What is the SMILES notation for 4-(2-aminopropyl)-3-fluoroaniline?
The canonical SMILES for 4-(2-aminopropyl)-3-fluoroaniline is CC(N)Cc1ccc(N)cc1F.
What is the InChIKey of 4-(2-aminopropyl)-3-fluoroaniline?
The InChIKey is ADGRLNHEJFDROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2/c1-6(11)4-7-2-3-8(12)5-9(7)10/h2-3,5-6H,4,11-12H2,1H3.
What are the key properties of 4-(2-aminopropyl)-3-fluoroaniline?
4-(2-aminopropyl)-3-fluoroaniline has a molecular weight of 168.22 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-3-fluoroaniline is sourced from PubChem (CID 10103543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).