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

C12H17ClN2 — CID 62979516

IUPACN-[1-(3-chlorophenyl)ethyl]-N-methylazetidin-3-amine
SMILESCC(c1cccc(Cl)c1)N(C)C1CNC1
InChIInChI=1S/C12H17ClN2/c1-9(15(2)12-7-14-8-12)10-4-3-5-11(13)6-10/h3-6,9,12,14H,7-8H2,1-2H3
InChIKeyXDLSJEYEXIIFLM-UHFFFAOYSA-N
MW224.73 g/mol
LogP2.30
Rot. Bonds3

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

N-[1-(3-chlorophenyl)ethyl]-N-methylazetidin-3-amine (PubChem CID 62979516) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-N-methylazetidin-3-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-N-methylazetidin-3-amine
PubChem CID62979516
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-N-methylazetidin-3-amine
SMILESCC(c1cccc(Cl)c1)N(C)C1CNC1
InChIInChI=1S/C12H17ClN2/c1-9(15(2)12-7-14-8-12)10-4-3-5-11(13)6-10/h3-6,9,12,14H,7-8H2,1-2H3
InChIKeyXDLSJEYEXIIFLM-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

1-N-[1-(3-chlorophenyl)ethyl]-1-N-methylcyclohexane-1,3-diamine
CID 79467961
N-[1-(3-chlorophenyl)ethyl]-N,4-dimethylpyrrolidine-3-carboxamide
CID 63716502
N-[1-(2-chlorophenyl)ethyl]-N-methylazetidin-3-amine
CID 62978284
2-[1-(3-chlorophenyl)ethyl-methylamino]cyclohexan-1-ol
CID 62980621
N-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-amine
CID 63297008
1-(3-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride
CID 119930141
N-[2-(3-chlorophenyl)propyl]-N-cyclopropylpyrrolidin-3-amine
CID 120842367
3-N-[1-(3-chlorophenyl)ethyl]-3-N-methyl-1,1-dioxothiolane-3,4-diamine
CID 62979514
1-[1-(3-chlorophenyl)ethyl]-1-methylthiourea
CID 62979523
N-benzhydryl-N-methylazetidin-3-amine
CID 66187999
N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride
CID 119716831
N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine
CID 80998947

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-N-methylazetidin-3-amine?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-N-methylazetidin-3-amine (CID 62979516) is N-[1-(3-chlorophenyl)ethyl]-N-methylazetidin-3-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-N-methylazetidin-3-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-N-methylazetidin-3-amine is CC(c1cccc(Cl)c1)N(C)C1CNC1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-N-methylazetidin-3-amine?
The InChIKey is XDLSJEYEXIIFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-9(15(2)12-7-14-8-12)10-4-3-5-11(13)6-10/h3-6,9,12,14H,7-8H2,1-2H3.
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-N-methylazetidin-3-amine?
N-[1-(3-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-(3-chlorophenyl)ethyl]-N-methylazetidin-3-amine is sourced from PubChem (CID 62979516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).