3-(2-bicyclo[2.2.1]heptanylmethyl)-3-(2-chlorophenyl)azetidine

C17H22ClN — CID 79550928

IUPAC3-(2-bicyclo[2.2.1]heptanylmethyl)-3-(2-chlorophenyl)azetidine
SMILESClc1ccccc1C1(CC2CC3CCC2C3)CNC1
InChIInChI=1S/C17H22ClN/c18-16-4-2-1-3-15(16)17(10-19-11-17)9-14-8-12-5-6-13(14)7-12/h1-4,12-14,19H,5-11H2
InChIKeyNBDUDIPPQUSZKZ-UHFFFAOYSA-N
MW275.82 g/mol
LogP4.01
Rot. Bonds3

About 3-(2-bicyclo[2.2.1]heptanylmethyl)-3-(2-chlorophenyl)azetidine

3-(2-bicyclo[2.2.1]heptanylmethyl)-3-(2-chlorophenyl)azetidine (PubChem CID 79550928) has the molecular formula C17H22ClN and a molecular weight of 275.82 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]heptanylmethyl)-3-(2-chlorophenyl)azetidine.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]heptanylmethyl)-3-(2-chlorophenyl)azetidine
PubChem CID79550928
Molecular FormulaC17H22ClN
Molecular Weight275.82 g/mol
Exact Mass275.14
IUPAC Name3-(2-bicyclo[2.2.1]heptanylmethyl)-3-(2-chlorophenyl)azetidine
SMILESClc1ccccc1C1(CC2CC3CCC2C3)CNC1
InChIInChI=1S/C17H22ClN/c18-16-4-2-1-3-15(16)17(10-19-11-17)9-14-8-12-5-6-13(14)7-12/h1-4,12-14,19H,5-11H2
InChIKeyNBDUDIPPQUSZKZ-UHFFFAOYSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.82
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-fluorophenyl)azetidine
CID 79550569
3-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-methylphenyl)azetidine
CID 79550208
3-(2-chlorophenyl)-3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)azetidine
CID 79460685
3-(2-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)azetidine
CID 79460494
3-(2-chlorophenyl)-3-(3-ethoxypropyl)azetidine
CID 79459718
2-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-dihydroinden-2-ol
CID 79558173
3-(2-chlorophenyl)-3-decylazetidine
CID 79460995
N-[3-(2-bicyclo[2.2.1]heptanyl)-2-(2-chlorophenyl)propyl]cyclopropanamine
CID 79562897
3-(2-chlorophenyl)-3-(2-methylsulfonylethyl)azetidine
CID 79459716
3-(2-bicyclo[2.2.1]heptanyl)-2-(2-chlorophenyl)-N-propan-2-ylpropan-1-amine
CID 79562895
[4-(2-bicyclo[2.2.1]heptanylmethyl)-2,3-dihydrochromen-4-yl]methanamine
CID 79558252
3-(2-bicyclo[2.2.1]heptanylmethyl)azetidine-3-carboxylic acid
CID 130806394

Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[2.2.1]heptanylmethyl)-3-(2-chlorophenyl)azetidine?
The IUPAC name of 3-(2-bicyclo[2.2.1]heptanylmethyl)-3-(2-chlorophenyl)azetidine (CID 79550928) is 3-(2-bicyclo[2.2.1]heptanylmethyl)-3-(2-chlorophenyl)azetidine.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]heptanylmethyl)-3-(2-chlorophenyl)azetidine?
The canonical SMILES for 3-(2-bicyclo[2.2.1]heptanylmethyl)-3-(2-chlorophenyl)azetidine is Clc1ccccc1C1(CC2CC3CCC2C3)CNC1.
What is the InChIKey of 3-(2-bicyclo[2.2.1]heptanylmethyl)-3-(2-chlorophenyl)azetidine?
The InChIKey is NBDUDIPPQUSZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN/c18-16-4-2-1-3-15(16)17(10-19-11-17)9-14-8-12-5-6-13(14)7-12/h1-4,12-14,19H,5-11H2.
What are the key properties of 3-(2-bicyclo[2.2.1]heptanylmethyl)-3-(2-chlorophenyl)azetidine?
3-(2-bicyclo[2.2.1]heptanylmethyl)-3-(2-chlorophenyl)azetidine has a molecular weight of 275.82 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]heptanylmethyl)-3-(2-chlorophenyl)azetidine is sourced from PubChem (CID 79550928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).