3-(2-chlorophenyl)-1-propan-2-ylazetidine

C12H16ClN — CID 167307066

IUPAC3-(2-chlorophenyl)-1-propan-2-ylazetidine
SMILESCC(C)N1CC(c2ccccc2Cl)C1
InChIInChI=1S/C12H16ClN/c1-9(2)14-7-10(8-14)11-5-3-4-6-12(11)13/h3-6,9-10H,7-8H2,1-2H3
InChIKeyKAUYEUUFRUKSBJ-UHFFFAOYSA-N
MW209.72 g/mol
LogP3.15
Rot. Bonds2

About 3-(2-chlorophenyl)-1-propan-2-ylazetidine

3-(2-chlorophenyl)-1-propan-2-ylazetidine (PubChem CID 167307066) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-propan-2-ylazetidine.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-propan-2-ylazetidine
PubChem CID167307066
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name3-(2-chlorophenyl)-1-propan-2-ylazetidine
SMILESCC(C)N1CC(c2ccccc2Cl)C1
InChIInChI=1S/C12H16ClN/c1-9(2)14-7-10(8-14)11-5-3-4-6-12(11)13/h3-6,9-10H,7-8H2,1-2H3
InChIKeyKAUYEUUFRUKSBJ-UHFFFAOYSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-propan-2-ylazetidine?
The IUPAC name of 3-(2-chlorophenyl)-1-propan-2-ylazetidine (CID 167307066) is 3-(2-chlorophenyl)-1-propan-2-ylazetidine.
What is the SMILES notation for 3-(2-chlorophenyl)-1-propan-2-ylazetidine?
The canonical SMILES for 3-(2-chlorophenyl)-1-propan-2-ylazetidine is CC(C)N1CC(c2ccccc2Cl)C1.
What is the InChIKey of 3-(2-chlorophenyl)-1-propan-2-ylazetidine?
The InChIKey is KAUYEUUFRUKSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN/c1-9(2)14-7-10(8-14)11-5-3-4-6-12(11)13/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 3-(2-chlorophenyl)-1-propan-2-ylazetidine?
3-(2-chlorophenyl)-1-propan-2-ylazetidine has a molecular weight of 209.72 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-propan-2-ylazetidine is sourced from PubChem (CID 167307066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).