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

C16H20FNO — CID 171944994

IUPAC(2-fluoro-3-methylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
SMILESCc1cccc(C(=O)C2CC3CCC(C2)N3C)c1F
InChIInChI=1S/C16H20FNO/c1-10-4-3-5-14(15(10)17)16(19)11-8-12-6-7-13(9-11)18(12)2/h3-5,11-13H,6-9H2,1-2H3
InChIKeyRSEDQVPOXRKRBU-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.19
Rot. Bonds2

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

(2-fluoro-3-methylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone (PubChem CID 171944994) has the molecular formula C16H20FNO and a molecular weight of 261.34 g/mol. Its IUPAC name is (2-fluoro-3-methylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-3-methylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
PubChem CID171944994
Molecular FormulaC16H20FNO
Molecular Weight261.34 g/mol
Exact Mass261.15
IUPAC Name(2-fluoro-3-methylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
SMILESCc1cccc(C(=O)C2CC3CCC(C2)N3C)c1F
InChIInChI=1S/C16H20FNO/c1-10-4-3-5-14(15(10)17)16(19)11-8-12-6-7-13(9-11)18(12)2/h3-5,11-13H,6-9H2,1-2H3
InChIKeyRSEDQVPOXRKRBU-UHFFFAOYSA-N
XLogP3.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3-difluoro-4-methylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 107512751
[2-fluoro-3-(trifluoromethyl)phenyl]-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 171949560
cyclopropyl-(2-fluoro-3-methylphenyl)methanone
CID 70266703
(2-chlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 112680607
(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
(4-fluoro-2-methylphenyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 171945077
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[2-methyl-5-(trifluoromethyl)phenyl]methanone
CID 171949785
(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2-propan-2-ylphenyl)methanone
CID 171947804
9H-fluoren-9-ylmethyl 3-(2-fluoro-3-methylbenzoyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171945007
(3-fluoro-4-pyridinyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 113447198
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(3,4,5-trifluorophenyl)methanone
CID 171948261

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-methylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone?
The IUPAC name of (2-fluoro-3-methylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone (CID 171944994) is (2-fluoro-3-methylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone.
What is the SMILES notation for (2-fluoro-3-methylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone?
The canonical SMILES for (2-fluoro-3-methylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone is Cc1cccc(C(=O)C2CC3CCC(C2)N3C)c1F.
What is the InChIKey of (2-fluoro-3-methylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone?
The InChIKey is RSEDQVPOXRKRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO/c1-10-4-3-5-14(15(10)17)16(19)11-8-12-6-7-13(9-11)18(12)2/h3-5,11-13H,6-9H2,1-2H3.
What are the key properties of (2-fluoro-3-methylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone?
(2-fluoro-3-methylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone has a molecular weight of 261.34 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-methylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone is sourced from PubChem (CID 171944994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).