N-(2-chloro-4-nitrophenyl)-N-methylazetidin-3-amine

C10H12ClN3O2 — CID 66181832

IUPACN-(2-chloro-4-nitrophenyl)-N-methylazetidin-3-amine
SMILESCN(c1ccc([N+](=O)[O-])cc1Cl)C1CNC1
InChIInChI=1S/C10H12ClN3O2/c1-13(8-5-12-6-8)10-3-2-7(14(15)16)4-9(10)11/h2-4,8,12H,5-6H2,1H3
InChIKeyUHHPIPYJONXWPA-UHFFFAOYSA-N
MW241.68 g/mol
LogP1.66
Rot. Bonds3

About N-(2-chloro-4-nitrophenyl)-N-methylazetidin-3-amine

N-(2-chloro-4-nitrophenyl)-N-methylazetidin-3-amine (PubChem CID 66181832) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is N-(2-chloro-4-nitrophenyl)-N-methylazetidin-3-amine.

Molecular Properties

Compound NameN-(2-chloro-4-nitrophenyl)-N-methylazetidin-3-amine
PubChem CID66181832
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC NameN-(2-chloro-4-nitrophenyl)-N-methylazetidin-3-amine
SMILESCN(c1ccc([N+](=O)[O-])cc1Cl)C1CNC1
InChIInChI=1S/C10H12ClN3O2/c1-13(8-5-12-6-8)10-3-2-7(14(15)16)4-9(10)11/h2-4,8,12H,5-6H2,1H3
InChIKeyUHHPIPYJONXWPA-UHFFFAOYSA-N
XLogP1.66
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[azetidin-3-yl(methyl)amino]-5-nitrobenzonitrile
CID 66183972
N-methyl-N-[4-nitro-2-(trifluoromethyl)phenyl]azetidin-3-amine
CID 66181419
N-(3-chloro-2-nitrophenyl)-N-methylazetidin-3-amine
CID 104839405
N-(azetidin-3-yl)-2-chloro-N-methyl-5-nitrobenzamide
CID 66185472
N-methyl-N-(2-methyl-5-nitrophenyl)pyrrolidin-3-amine
CID 63301746
N-(azetidin-3-yl)-2-chloro-4-nitro-N-propylbenzenesulfonamide
CID 66216474
N-(2-chlorophenyl)-N-methylazetidin-3-amine
CID 105450392
N-[(2-chloro-4-nitrophenyl)methyl]-N-methylpiperidin-3-amine
CID 55248936
4-[azetidin-3-yl(methyl)amino]-3-nitrobenzenesulfonamide
CID 66181631
N-methyl-N-(2-methyl-4-nitrophenyl)azepan-4-amine
CID 107173916
N-methyl-N-(4-nitrophenyl)pyrrolidin-3-amine
CID 63301700
N-(azetidin-3-yl)-2-methoxy-N-methyl-4-nitrobenzamide
CID 104783836

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-nitrophenyl)-N-methylazetidin-3-amine?
The IUPAC name of N-(2-chloro-4-nitrophenyl)-N-methylazetidin-3-amine (CID 66181832) is N-(2-chloro-4-nitrophenyl)-N-methylazetidin-3-amine.
What is the SMILES notation for N-(2-chloro-4-nitrophenyl)-N-methylazetidin-3-amine?
The canonical SMILES for N-(2-chloro-4-nitrophenyl)-N-methylazetidin-3-amine is CN(c1ccc([N+](=O)[O-])cc1Cl)C1CNC1.
What is the InChIKey of N-(2-chloro-4-nitrophenyl)-N-methylazetidin-3-amine?
The InChIKey is UHHPIPYJONXWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c1-13(8-5-12-6-8)10-3-2-7(14(15)16)4-9(10)11/h2-4,8,12H,5-6H2,1H3.
What are the key properties of N-(2-chloro-4-nitrophenyl)-N-methylazetidin-3-amine?
N-(2-chloro-4-nitrophenyl)-N-methylazetidin-3-amine has a molecular weight of 241.68 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-nitrophenyl)-N-methylazetidin-3-amine is sourced from PubChem (CID 66181832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).