2-(azetidin-2-ylmethyl)-4-chloroaniline

C10H13ClN2 — CID 84667332

IUPAC2-(azetidin-2-ylmethyl)-4-chloroaniline
SMILESNc1ccc(Cl)cc1CC1CCN1
InChIInChI=1S/C10H13ClN2/c11-8-1-2-10(12)7(5-8)6-9-3-4-13-9/h1-2,5,9,13H,3-4,6,12H2
InChIKeyJKOVPLVGVRXTFQ-UHFFFAOYSA-N
MW196.68 g/mol
LogP1.83
Rot. Bonds2

About 2-(azetidin-2-ylmethyl)-4-chloroaniline

2-(azetidin-2-ylmethyl)-4-chloroaniline (PubChem CID 84667332) has the molecular formula C10H13ClN2 and a molecular weight of 196.68 g/mol. Its IUPAC name is 2-(azetidin-2-ylmethyl)-4-chloroaniline.

Molecular Properties

Compound Name2-(azetidin-2-ylmethyl)-4-chloroaniline
PubChem CID84667332
Molecular FormulaC10H13ClN2
Molecular Weight196.68 g/mol
Exact Mass196.08
IUPAC Name2-(azetidin-2-ylmethyl)-4-chloroaniline
SMILESNc1ccc(Cl)cc1CC1CCN1
InChIInChI=1S/C10H13ClN2/c11-8-1-2-10(12)7(5-8)6-9-3-4-13-9/h1-2,5,9,13H,3-4,6,12H2
InChIKeyJKOVPLVGVRXTFQ-UHFFFAOYSA-N
XLogP1.83
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 51.83
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-(azetidin-2-ylmethyl)-4-chloroaniline?
The IUPAC name of 2-(azetidin-2-ylmethyl)-4-chloroaniline (CID 84667332) is 2-(azetidin-2-ylmethyl)-4-chloroaniline.
What is the SMILES notation for 2-(azetidin-2-ylmethyl)-4-chloroaniline?
The canonical SMILES for 2-(azetidin-2-ylmethyl)-4-chloroaniline is Nc1ccc(Cl)cc1CC1CCN1.
What is the InChIKey of 2-(azetidin-2-ylmethyl)-4-chloroaniline?
The InChIKey is JKOVPLVGVRXTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2/c11-8-1-2-10(12)7(5-8)6-9-3-4-13-9/h1-2,5,9,13H,3-4,6,12H2.
What are the key properties of 2-(azetidin-2-ylmethyl)-4-chloroaniline?
2-(azetidin-2-ylmethyl)-4-chloroaniline has a molecular weight of 196.68 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-2-ylmethyl)-4-chloroaniline is sourced from PubChem (CID 84667332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).