N-(azetidin-3-ylmethyl)-4-fluoroaniline

C10H13FN2 — CID 84657410

IUPACN-(azetidin-3-ylmethyl)-4-fluoroaniline
SMILESFc1ccc(NCC2CNC2)cc1
InChIInChI=1S/C10H13FN2/c11-9-1-3-10(4-2-9)13-7-8-5-12-6-8/h1-4,8,12-13H,5-7H2
InChIKeyVUWRBSBHBIALCD-UHFFFAOYSA-N
MW180.23 g/mol
LogP1.46
Rot. Bonds3

About N-(azetidin-3-ylmethyl)-4-fluoroaniline

N-(azetidin-3-ylmethyl)-4-fluoroaniline (PubChem CID 84657410) has the molecular formula C10H13FN2 and a molecular weight of 180.23 g/mol. Its IUPAC name is N-(azetidin-3-ylmethyl)-4-fluoroaniline.

Molecular Properties

Compound NameN-(azetidin-3-ylmethyl)-4-fluoroaniline
PubChem CID84657410
Molecular FormulaC10H13FN2
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC NameN-(azetidin-3-ylmethyl)-4-fluoroaniline
SMILESFc1ccc(NCC2CNC2)cc1
InChIInChI=1S/C10H13FN2/c11-9-1-3-10(4-2-9)13-7-8-5-12-6-8/h1-4,8,12-13H,5-7H2
InChIKeyVUWRBSBHBIALCD-UHFFFAOYSA-N
XLogP1.46
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-ylmethyl)-4-fluoroaniline?
The IUPAC name of N-(azetidin-3-ylmethyl)-4-fluoroaniline (CID 84657410) is N-(azetidin-3-ylmethyl)-4-fluoroaniline.
What is the SMILES notation for N-(azetidin-3-ylmethyl)-4-fluoroaniline?
The canonical SMILES for N-(azetidin-3-ylmethyl)-4-fluoroaniline is Fc1ccc(NCC2CNC2)cc1.
What is the InChIKey of N-(azetidin-3-ylmethyl)-4-fluoroaniline?
The InChIKey is VUWRBSBHBIALCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2/c11-9-1-3-10(4-2-9)13-7-8-5-12-6-8/h1-4,8,12-13H,5-7H2.
What are the key properties of N-(azetidin-3-ylmethyl)-4-fluoroaniline?
N-(azetidin-3-ylmethyl)-4-fluoroaniline has a molecular weight of 180.23 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-ylmethyl)-4-fluoroaniline is sourced from PubChem (CID 84657410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).