9-(4-fluoro-2-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-amine

C15H21FN2O — CID 62714541

IUPAC9-(4-fluoro-2-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCOc1cc(F)ccc1N1C2CCCC1CC(N)C2
InChIInChI=1S/C15H21FN2O/c1-19-15-7-10(16)5-6-14(15)18-12-3-2-4-13(18)9-11(17)8-12/h5-7,11-13H,2-4,8-9,17H2,1H3
InChIKeyHZMSHIJPPIAHQJ-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.68
Rot. Bonds2

About 9-(4-fluoro-2-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-amine

9-(4-fluoro-2-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 62714541) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 9-(4-fluoro-2-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-(4-fluoro-2-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID62714541
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name9-(4-fluoro-2-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCOc1cc(F)ccc1N1C2CCCC1CC(N)C2
InChIInChI=1S/C15H21FN2O/c1-19-15-7-10(16)5-6-14(15)18-12-3-2-4-13(18)9-11(17)8-12/h5-7,11-13H,2-4,8-9,17H2,1H3
InChIKeyHZMSHIJPPIAHQJ-UHFFFAOYSA-N
XLogP2.68
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-(4-fluoro-2-methoxyphenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62740557
8-(5-chloro-2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 55106709
9-(3,5-difluorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62714139
cyclopropanamine;4-fluoro-2-methoxy-1-methylbenzene
CID 145378951
(3-aminocyclohexyl)-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 119888902
8-(2,4-dibromo-5-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 103416867
2-(4-fluoro-2-methoxyphenyl)-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79926321
2-(4-fluoro-2-methoxyphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929014
9-(2,4-difluorophenyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 55105976
8-(2-fluoro-4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62741066
(4-fluoro-2-methoxyphenyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 171947337
9-(2-fluoro-4-nitrophenyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712608

Frequently Asked Questions

What is the IUPAC name of 9-(4-fluoro-2-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-(4-fluoro-2-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-amine (CID 62714541) is 9-(4-fluoro-2-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-(4-fluoro-2-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-(4-fluoro-2-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-amine is COc1cc(F)ccc1N1C2CCCC1CC(N)C2.
What is the InChIKey of 9-(4-fluoro-2-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is HZMSHIJPPIAHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-19-15-7-10(16)5-6-14(15)18-12-3-2-4-13(18)9-11(17)8-12/h5-7,11-13H,2-4,8-9,17H2,1H3.
What are the key properties of 9-(4-fluoro-2-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-amine?
9-(4-fluoro-2-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 264.34 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-fluoro-2-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 62714541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).