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

C10H13ClN2 — CID 84667306

IUPACN-(azetidin-3-ylmethyl)-4-chloroaniline
SMILESClc1ccc(NCC2CNC2)cc1
InChIInChI=1S/C10H13ClN2/c11-9-1-3-10(4-2-9)13-7-8-5-12-6-8/h1-4,8,12-13H,5-7H2
InChIKeyBRZJRJBGSQQFJF-UHFFFAOYSA-N
MW196.68 g/mol
LogP1.97
Rot. Bonds3

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

N-(azetidin-3-ylmethyl)-4-chloroaniline (PubChem CID 84667306) has the molecular formula C10H13ClN2 and a molecular weight of 196.68 g/mol. Its IUPAC name is N-(azetidin-3-ylmethyl)-4-chloroaniline.

Molecular Properties

Compound NameN-(azetidin-3-ylmethyl)-4-chloroaniline
PubChem CID84667306
Molecular FormulaC10H13ClN2
Molecular Weight196.68 g/mol
Exact Mass196.08
IUPAC NameN-(azetidin-3-ylmethyl)-4-chloroaniline
SMILESClc1ccc(NCC2CNC2)cc1
InChIInChI=1S/C10H13ClN2/c11-9-1-3-10(4-2-9)13-7-8-5-12-6-8/h1-4,8,12-13H,5-7H2
InChIKeyBRZJRJBGSQQFJF-UHFFFAOYSA-N
XLogP1.97
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(azetidin-3-ylmethyl)-4-chloroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(azetidin-3-ylmethyl)-4-fluoroaniline
CID 84657410
4-chloro-N-(cyclopropylmethyl)aniline;hydrochloride
CID 53249942
4-(4-chlorophenoxy)-N-(pyrrolidin-3-ylmethyl)aniline
CID 86273324
N-(azetidin-3-ylmethyl)-3-methylaniline
CID 84655686
N-[4-[(4-chloroanilino)methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
CID 70939433
4-fluoro-N-(piperidin-3-ylmethyl)aniline
CID 79020016
3-[4-(azetidin-3-ylmethylamino)phenyl]piperidine-2,6-dione
CID 178015429
N-(pyrrolidin-3-ylmethyl)aniline
CID 12889914
N-(azetidin-3-ylmethyl)-3-chloropyridin-2-amine
CID 127017021
4-phenyl-N-(pyrrolidin-3-ylmethyl)aniline
CID 63006481
4-methoxy-N-(piperidin-3-ylmethyl)aniline
CID 79018605
6-(azetidin-3-ylmethylamino)-4H-1,4-benzoxazin-3-one
CID 115207268

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-ylmethyl)-4-chloroaniline?
The IUPAC name of N-(azetidin-3-ylmethyl)-4-chloroaniline (CID 84667306) is N-(azetidin-3-ylmethyl)-4-chloroaniline.
What is the SMILES notation for N-(azetidin-3-ylmethyl)-4-chloroaniline?
The canonical SMILES for N-(azetidin-3-ylmethyl)-4-chloroaniline is Clc1ccc(NCC2CNC2)cc1.
What is the InChIKey of N-(azetidin-3-ylmethyl)-4-chloroaniline?
The InChIKey is BRZJRJBGSQQFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2/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-chloroaniline?
N-(azetidin-3-ylmethyl)-4-chloroaniline has a molecular weight of 196.68 g/mol, XLogP of 1.97, 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-chloroaniline is sourced from PubChem (CID 84667306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).