N-[1-(2-chlorophenyl)ethyl]-N-methylazetidin-3-amine

C12H17ClN2 — CID 62978284

IUPACN-[1-(2-chlorophenyl)ethyl]-N-methylazetidin-3-amine
SMILESCC(c1ccccc1Cl)N(C)C1CNC1
InChIInChI=1S/C12H17ClN2/c1-9(15(2)10-7-14-8-10)11-5-3-4-6-12(11)13/h3-6,9-10,14H,7-8H2,1-2H3
InChIKeyISIJGNQHKRCQTK-UHFFFAOYSA-N
MW224.73 g/mol
LogP2.30
Rot. Bonds3

About N-[1-(2-chlorophenyl)ethyl]-N-methylazetidin-3-amine

N-[1-(2-chlorophenyl)ethyl]-N-methylazetidin-3-amine (PubChem CID 62978284) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-N-methylazetidin-3-amine.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-N-methylazetidin-3-amine
PubChem CID62978284
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-N-methylazetidin-3-amine
SMILESCC(c1ccccc1Cl)N(C)C1CNC1
InChIInChI=1S/C12H17ClN2/c1-9(15(2)10-7-14-8-10)11-5-3-4-6-12(11)13/h3-6,9-10,14H,7-8H2,1-2H3
InChIKeyISIJGNQHKRCQTK-UHFFFAOYSA-N
XLogP2.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,3-dichlorophenyl)ethyl]-N-methylpyrrolidin-3-amine
CID 114079689
2-(azetidin-3-yl)-N-[1-(2-chlorophenyl)ethyl]-N-methylacetamide
CID 64610155
N-[1-(2-chlorophenyl)ethyl]-N-ethylpyrrolidin-3-amine
CID 63299507
N-[1-(3-chlorophenyl)ethyl]-N-methylazetidin-3-amine
CID 62979516
4-N-[1-(2-chlorophenyl)ethyl]-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 114763258
N-(2-chlorophenyl)-N-methylazetidin-3-amine
CID 105450392
1-(2-chlorophenyl)-N-ethyl-N-methylethanamine
CID 126986399
N-benzhydryl-N-methylazetidin-3-amine
CID 66187999
N-[1-(5-bromo-2-fluorophenyl)ethyl]-N-methylazetidin-3-amine
CID 82970691
1-(2-chlorophenyl)-N-methyl-N-[[(3R)-piperidin-3-yl]methyl]ethanamine
CID 112736627
N-(azetidin-3-yl)-2-chloro-N-ethylbenzamide
CID 66182738
N-[1-(2,3-difluorophenyl)ethyl]-N-methylpyrrolidin-3-amine
CID 114059322

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-N-methylazetidin-3-amine?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-N-methylazetidin-3-amine (CID 62978284) is N-[1-(2-chlorophenyl)ethyl]-N-methylazetidin-3-amine.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-N-methylazetidin-3-amine?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-N-methylazetidin-3-amine is CC(c1ccccc1Cl)N(C)C1CNC1.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-N-methylazetidin-3-amine?
The InChIKey is ISIJGNQHKRCQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-9(15(2)10-7-14-8-10)11-5-3-4-6-12(11)13/h3-6,9-10,14H,7-8H2,1-2H3.
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-N-methylazetidin-3-amine?
N-[1-(2-chlorophenyl)ethyl]-N-methylazetidin-3-amine has a molecular weight of 224.73 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-N-methylazetidin-3-amine is sourced from PubChem (CID 62978284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).