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

C10H12ClN3O2 — CID 104839405

IUPACN-(3-chloro-2-nitrophenyl)-N-methylazetidin-3-amine
SMILESCN(c1cccc(Cl)c1[N+](=O)[O-])C1CNC1
InChIInChI=1S/C10H12ClN3O2/c1-13(7-5-12-6-7)9-4-2-3-8(11)10(9)14(15)16/h2-4,7,12H,5-6H2,1H3
InChIKeyNSSKMZQBUUQIRC-UHFFFAOYSA-N
MW241.68 g/mol
LogP1.66
Rot. Bonds3

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

N-(3-chloro-2-nitrophenyl)-N-methylazetidin-3-amine (PubChem CID 104839405) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is N-(3-chloro-2-nitrophenyl)-N-methylazetidin-3-amine.

Molecular Properties

Compound NameN-(3-chloro-2-nitrophenyl)-N-methylazetidin-3-amine
PubChem CID104839405
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC NameN-(3-chloro-2-nitrophenyl)-N-methylazetidin-3-amine
SMILESCN(c1cccc(Cl)c1[N+](=O)[O-])C1CNC1
InChIInChI=1S/C10H12ClN3O2/c1-13(7-5-12-6-7)9-4-2-3-8(11)10(9)14(15)16/h2-4,7,12H,5-6H2,1H3
InChIKeyNSSKMZQBUUQIRC-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

3-chloro-N-cyclopropyl-N-methyl-2-nitroaniline
CID 104838791
N-(2-chlorophenyl)-N-methylazetidin-3-amine
CID 105450392
N-(2-chloro-4-nitrophenyl)-N-methylazetidin-3-amine
CID 66181832
N-(3-fluoro-2-nitrophenyl)-N-propylazetidin-3-amine
CID 66215143
N'-(3-chloro-2-nitrophenyl)-N'-methylpropane-1,3-diamine
CID 104839457
3-chloro-N-(cyclopropylmethyl)-2-nitro-N-propylaniline
CID 104838880
3-[(3-chloro-N-methyl-2-nitroanilino)methyl]cyclobutan-1-ol
CID 104839073
3-chloro-N-(3-fluorophenyl)-N-methyl-2-nitroaniline
CID 104838971
N'-(3-chloro-2-nitrophenyl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102995642
3-chloro-N-ethyl-N-(2-methylphenyl)-2-nitroaniline
CID 104838684
3-chloro-N-(2-ethoxyethyl)-N-ethyl-2-nitroaniline
CID 113459306
N-(azetidin-3-yl)-2-chloro-N-ethyl-6-nitrobenzamide
CID 66184247

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-nitrophenyl)-N-methylazetidin-3-amine?
The IUPAC name of N-(3-chloro-2-nitrophenyl)-N-methylazetidin-3-amine (CID 104839405) is N-(3-chloro-2-nitrophenyl)-N-methylazetidin-3-amine.
What is the SMILES notation for N-(3-chloro-2-nitrophenyl)-N-methylazetidin-3-amine?
The canonical SMILES for N-(3-chloro-2-nitrophenyl)-N-methylazetidin-3-amine is CN(c1cccc(Cl)c1[N+](=O)[O-])C1CNC1.
What is the InChIKey of N-(3-chloro-2-nitrophenyl)-N-methylazetidin-3-amine?
The InChIKey is NSSKMZQBUUQIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c1-13(7-5-12-6-7)9-4-2-3-8(11)10(9)14(15)16/h2-4,7,12H,5-6H2,1H3.
What are the key properties of N-(3-chloro-2-nitrophenyl)-N-methylazetidin-3-amine?
N-(3-chloro-2-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-(3-chloro-2-nitrophenyl)-N-methylazetidin-3-amine is sourced from PubChem (CID 104839405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).