9-(2,3-difluorophenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine

C17H24F2N2 — CID 62713644

IUPAC9-(2,3-difluorophenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCCNC1CC2CCCC(C1)N2c1cccc(F)c1F
InChIInChI=1S/C17H24F2N2/c1-2-9-20-12-10-13-5-3-6-14(11-12)21(13)16-8-4-7-15(18)17(16)19/h4,7-8,12-14,20H,2-3,5-6,9-11H2,1H3
InChIKeyDTGVDBXLABOAIP-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.85
Rot. Bonds4

About 9-(2,3-difluorophenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine

9-(2,3-difluorophenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 62713644) has the molecular formula C17H24F2N2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 9-(2,3-difluorophenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-(2,3-difluorophenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID62713644
Molecular FormulaC17H24F2N2
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name9-(2,3-difluorophenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCCNC1CC2CCCC(C1)N2c1cccc(F)c1F
InChIInChI=1S/C17H24F2N2/c1-2-9-20-12-10-13-5-3-6-14(11-12)21(13)16-8-4-7-15(18)17(16)19/h4,7-8,12-14,20H,2-3,5-6,9-11H2,1H3
InChIKeyDTGVDBXLABOAIP-UHFFFAOYSA-N
XLogP3.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-(2,3-difluorophenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713642
9-(2,3-dimethylphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62714500
9-(2-methylsulfanylphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 107646036
N-ethyl-9-(3-fluoro-2-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713995
9-(2-methoxyphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713435
9-(5-fluoro-2-methylphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62714679
9-(2-bromo-5-fluorophenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 107639383
9-(4-chloro-2-methylphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62714698
8-(2-bromophenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739604
9-(2-bromo-4-chlorophenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 81256584
9-(3-methoxyphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713433
2-methyl-6-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]benzonitrile
CID 107801539

Frequently Asked Questions

What is the IUPAC name of 9-(2,3-difluorophenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-(2,3-difluorophenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 62713644) is 9-(2,3-difluorophenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-(2,3-difluorophenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-(2,3-difluorophenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine is CCCNC1CC2CCCC(C1)N2c1cccc(F)c1F.
What is the InChIKey of 9-(2,3-difluorophenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is DTGVDBXLABOAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2/c1-2-9-20-12-10-13-5-3-6-14(11-12)21(13)16-8-4-7-15(18)17(16)19/h4,7-8,12-14,20H,2-3,5-6,9-11H2,1H3.
What are the key properties of 9-(2,3-difluorophenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
9-(2,3-difluorophenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 294.39 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,3-difluorophenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 62713644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).