(2-chlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone

C15H18ClNO — CID 112680607

IUPAC(2-chlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
SMILESCN1C2CCC1CC(C(=O)c1ccccc1Cl)C2
InChIInChI=1S/C15H18ClNO/c1-17-11-6-7-12(17)9-10(8-11)15(18)13-4-2-3-5-14(13)16/h2-5,10-12H,6-9H2,1H3
InChIKeyWZEMXRDMZQTWRN-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.40
Rot. Bonds2

About (2-chlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone

(2-chlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone (PubChem CID 112680607) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is (2-chlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
PubChem CID112680607
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC Name(2-chlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
SMILESCN1C2CCC1CC(C(=O)c1ccccc1Cl)C2
InChIInChI=1S/C15H18ClNO/c1-17-11-6-7-12(17)9-10(8-11)15(18)13-4-2-3-5-14(13)16/h2-5,10-12H,6-9H2,1H3
InChIKeyWZEMXRDMZQTWRN-UHFFFAOYSA-N
XLogP3.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2-chlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone with MolForge

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Related Compounds

(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-naphthalen-1-ylmethanone
CID 115997804
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(2-phenylphenyl)methanone
CID 171943246
(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2-propan-2-ylphenyl)methanone
CID 171947804
(2-fluoro-3-methylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 171944994
(2-ethylphenyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 171944562
3-bicyclo[3.1.0]hexanyl-(2-chlorophenyl)methanone
CID 114963326
[2-fluoro-3-(trifluoromethyl)phenyl]-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 171949560
(2,3-difluoro-4-methylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 107512751
(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-(2-propan-2-ylphenyl)methanone
CID 171947798
(2-chlorophenyl)-(3-methylcyclopentyl)methanone
CID 65402941
(3-fluoro-4-pyridinyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 113447198
(2-chlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol
CID 112680913

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone?
The IUPAC name of (2-chlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone (CID 112680607) is (2-chlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone.
What is the SMILES notation for (2-chlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone?
The canonical SMILES for (2-chlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone is CN1C2CCC1CC(C(=O)c1ccccc1Cl)C2.
What is the InChIKey of (2-chlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone?
The InChIKey is WZEMXRDMZQTWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO/c1-17-11-6-7-12(17)9-10(8-11)15(18)13-4-2-3-5-14(13)16/h2-5,10-12H,6-9H2,1H3.
What are the key properties of (2-chlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone?
(2-chlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone has a molecular weight of 263.77 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone is sourced from PubChem (CID 112680607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).