8-(3-chlorophenyl)-8-azabicyclo[3.2.1]octane

C13H16ClN — CID 22337597

IUPAC8-(3-chlorophenyl)-8-azabicyclo[3.2.1]octane
SMILESClc1cccc(N2C3CCCC2CC3)c1
InChIInChI=1S/C13H16ClN/c14-10-3-1-6-13(9-10)15-11-4-2-5-12(15)8-7-11/h1,3,6,9,11-12H,2,4-5,7-8H2
InChIKeySLXAXWPDDABAIM-UHFFFAOYSA-N
MW221.73 g/mol
LogP3.86
Rot. Bonds1

About 8-(3-chlorophenyl)-8-azabicyclo[3.2.1]octane

8-(3-chlorophenyl)-8-azabicyclo[3.2.1]octane (PubChem CID 22337597) has the molecular formula C13H16ClN and a molecular weight of 221.73 g/mol. Its IUPAC name is 8-(3-chlorophenyl)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-(3-chlorophenyl)-8-azabicyclo[3.2.1]octane
PubChem CID22337597
Molecular FormulaC13H16ClN
Molecular Weight221.73 g/mol
Exact Mass221.10
IUPAC Name8-(3-chlorophenyl)-8-azabicyclo[3.2.1]octane
SMILESClc1cccc(N2C3CCCC2CC3)c1
InChIInChI=1S/C13H16ClN/c14-10-3-1-6-13(9-10)15-11-4-2-5-12(15)8-7-11/h1,3,6,9,11-12H,2,4-5,7-8H2
InChIKeySLXAXWPDDABAIM-UHFFFAOYSA-N
XLogP3.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 8-(3-chlorophenyl)-8-azabicyclo[3.2.1]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(3-chlorophenyl)-8-azabicyclo[3.2.1]octan-3-one
CID 62739931
(8aS)-3-(3-chlorophenyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 175408637
3-(3-chlorophenyl)-1-cyclopropylimidazolidine-2,4-dione
CID 54924311
1-(3-chlorophenyl)azonane
CID 145391535
7-[3-(trifluoromethyl)phenyl]-7-azabicyclo[2.2.1]heptane
CID 123494904
(1S,2R,6R,7S)-4-(3-chlorophenyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 98173936
9-(3,4-dichlorophenyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 62713577
(1S,2R,6S,7S)-4-(3-chlorophenyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 98119677
(4aR,7aS)-4-(3-chlorophenyl)-1-cyclohexyl-6,6-dioxo-4a,5,7,7a-tetrahydro-2H-thieno[3,4-b]pyrazin-3-one
CID 51491951
9-[3-(trifluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-one
CID 62713403
2-(3-chlorophenyl)-3-cyclopropylimidazolidin-4-one
CID 115282204
9-(3-nitrophenyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 62712878

Frequently Asked Questions

What is the IUPAC name of 8-(3-chlorophenyl)-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-(3-chlorophenyl)-8-azabicyclo[3.2.1]octane (CID 22337597) is 8-(3-chlorophenyl)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-(3-chlorophenyl)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-(3-chlorophenyl)-8-azabicyclo[3.2.1]octane is Clc1cccc(N2C3CCCC2CC3)c1.
What is the InChIKey of 8-(3-chlorophenyl)-8-azabicyclo[3.2.1]octane?
The InChIKey is SLXAXWPDDABAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN/c14-10-3-1-6-13(9-10)15-11-4-2-5-12(15)8-7-11/h1,3,6,9,11-12H,2,4-5,7-8H2.
What are the key properties of 8-(3-chlorophenyl)-8-azabicyclo[3.2.1]octane?
8-(3-chlorophenyl)-8-azabicyclo[3.2.1]octane has a molecular weight of 221.73 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-chlorophenyl)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 22337597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).