2-(azetidin-1-yl)-3-(2-chlorophenyl)-2-methylpropan-1-amine

C13H19ClN2 — CID 84727871

IUPAC2-(azetidin-1-yl)-3-(2-chlorophenyl)-2-methylpropan-1-amine
SMILESCC(CN)(Cc1ccccc1Cl)N1CCC1
InChIInChI=1S/C13H19ClN2/c1-13(10-15,16-7-4-8-16)9-11-5-2-3-6-12(11)14/h2-3,5-6H,4,7-10,15H2,1H3
InChIKeyJBYVAIJYCIHHLW-UHFFFAOYSA-N
MW238.76 g/mol
LogP2.31
Rot. Bonds4

About 2-(azetidin-1-yl)-3-(2-chlorophenyl)-2-methylpropan-1-amine

2-(azetidin-1-yl)-3-(2-chlorophenyl)-2-methylpropan-1-amine (PubChem CID 84727871) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 2-(azetidin-1-yl)-3-(2-chlorophenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(azetidin-1-yl)-3-(2-chlorophenyl)-2-methylpropan-1-amine
PubChem CID84727871
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name2-(azetidin-1-yl)-3-(2-chlorophenyl)-2-methylpropan-1-amine
SMILESCC(CN)(Cc1ccccc1Cl)N1CCC1
InChIInChI=1S/C13H19ClN2/c1-13(10-15,16-7-4-8-16)9-11-5-2-3-6-12(11)14/h2-3,5-6H,4,7-10,15H2,1H3
InChIKeyJBYVAIJYCIHHLW-UHFFFAOYSA-N
XLogP2.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azepan-1-yl)-1-(2-chlorophenyl)propan-2-amine
CID 84752536
3-(4-chlorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
CID 84752139
1-(2,3-dichlorophenyl)-2-pyrrolidin-1-ylpropan-2-amine
CID 84747889
2-(azepan-1-yl)-3-(2-chlorophenyl)-2-methylpropanoic acid
CID 84746800
2-[(2-chlorophenyl)methyl]-3-fluoro-2-methylpropan-1-amine
CID 84723815
3-(2-methoxyphenyl)-2-methyl-2-thiomorpholin-4-ylpropan-1-amine
CID 54933322
2-(azocan-1-yl)-2-methylbutan-1-amine
CID 43211839
1-(2-chlorophenyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-one
CID 79068763
3-(3-methoxyphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine
CID 84746685
[1-(2-chlorophenyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-yl]hydrazine
CID 105241133
2-(3,4-dimethylpyrrolidin-1-yl)-3-(2-fluorophenyl)-2-methylpropan-1-amine
CID 114831591
2-N-[(2-chlorophenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
CID 28759320

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-yl)-3-(2-chlorophenyl)-2-methylpropan-1-amine?
The IUPAC name of 2-(azetidin-1-yl)-3-(2-chlorophenyl)-2-methylpropan-1-amine (CID 84727871) is 2-(azetidin-1-yl)-3-(2-chlorophenyl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(azetidin-1-yl)-3-(2-chlorophenyl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(azetidin-1-yl)-3-(2-chlorophenyl)-2-methylpropan-1-amine is CC(CN)(Cc1ccccc1Cl)N1CCC1.
What is the InChIKey of 2-(azetidin-1-yl)-3-(2-chlorophenyl)-2-methylpropan-1-amine?
The InChIKey is JBYVAIJYCIHHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-13(10-15,16-7-4-8-16)9-11-5-2-3-6-12(11)14/h2-3,5-6H,4,7-10,15H2,1H3.
What are the key properties of 2-(azetidin-1-yl)-3-(2-chlorophenyl)-2-methylpropan-1-amine?
2-(azetidin-1-yl)-3-(2-chlorophenyl)-2-methylpropan-1-amine has a molecular weight of 238.76 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-yl)-3-(2-chlorophenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 84727871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).