9-[(3-fluorophenyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine

C18H27FN2 — CID 62712012

IUPAC9-[(3-fluorophenyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCCNC1CC2CCCC(C1)N2Cc1cccc(F)c1
InChIInChI=1S/C18H27FN2/c1-2-9-20-16-11-17-7-4-8-18(12-16)21(17)13-14-5-3-6-15(19)10-14/h3,5-6,10,16-18,20H,2,4,7-9,11-13H2,1H3
InChIKeyMAOPMTQSLIHURV-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.71
Rot. Bonds5

About 9-[(3-fluorophenyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine

9-[(3-fluorophenyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 62712012) has the molecular formula C18H27FN2 and a molecular weight of 290.43 g/mol. Its IUPAC name is 9-[(3-fluorophenyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-[(3-fluorophenyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID62712012
Molecular FormulaC18H27FN2
Molecular Weight290.43 g/mol
Exact Mass290.22
IUPAC Name9-[(3-fluorophenyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCCNC1CC2CCCC(C1)N2Cc1cccc(F)c1
InChIInChI=1S/C18H27FN2/c1-2-9-20-16-11-17-7-4-8-18(12-16)21(17)13-14-5-3-6-15(19)10-14/h3,5-6,10,16-18,20H,2,4,7-9,11-13H2,1H3
InChIKeyMAOPMTQSLIHURV-UHFFFAOYSA-N
XLogP3.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-[(4-bromophenyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712363
9-[(3-chlorophenyl)methyl]-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712587
9-(2-bromo-5-fluorophenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 107639383
8-[(2-fluorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739080
N-propyl-8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62740890
9-(5-fluoro-2-methylphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62714679
8-[(4-chlorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739990
9-(2,3-difluorophenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713644
1-[2-(3-fluorophenyl)ethyl]-N-propylpiperidin-4-amine
CID 43566257
9-(1,2-oxazol-3-ylmethyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 81173487
1-[(3-fluorophenyl)methyl]-2,5-dimethylpyrrolidine
CID 146164632
1-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-(3-fluorophenyl)ethanone
CID 171944859

Frequently Asked Questions

What is the IUPAC name of 9-[(3-fluorophenyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-[(3-fluorophenyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 62712012) is 9-[(3-fluorophenyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-[(3-fluorophenyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-[(3-fluorophenyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine is CCCNC1CC2CCCC(C1)N2Cc1cccc(F)c1.
What is the InChIKey of 9-[(3-fluorophenyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is MAOPMTQSLIHURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2/c1-2-9-20-16-11-17-7-4-8-18(12-16)21(17)13-14-5-3-6-15(19)10-14/h3,5-6,10,16-18,20H,2,4,7-9,11-13H2,1H3.
What are the key properties of 9-[(3-fluorophenyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
9-[(3-fluorophenyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 290.43 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3-fluorophenyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 62712012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).