3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(2-fluorophenyl)-N-propylpropan-1-amine

C18H27FN2 — CID 62644007

IUPAC3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(2-fluorophenyl)-N-propylpropan-1-amine
SMILESCCCNC(CCN1CC2CCC1C2)c1ccccc1F
InChIInChI=1S/C18H27FN2/c1-2-10-20-18(16-5-3-4-6-17(16)19)9-11-21-13-14-7-8-15(21)12-14/h3-6,14-15,18,20H,2,7-13H2,1H3
InChIKeyWGZQREJORZWYIH-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.74
Rot. Bonds7

About 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(2-fluorophenyl)-N-propylpropan-1-amine

3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(2-fluorophenyl)-N-propylpropan-1-amine (PubChem CID 62644007) has the molecular formula C18H27FN2 and a molecular weight of 290.43 g/mol. Its IUPAC name is 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(2-fluorophenyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(2-fluorophenyl)-N-propylpropan-1-amine
PubChem CID62644007
Molecular FormulaC18H27FN2
Molecular Weight290.43 g/mol
Exact Mass290.22
IUPAC Name3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(2-fluorophenyl)-N-propylpropan-1-amine
SMILESCCCNC(CCN1CC2CCC1C2)c1ccccc1F
InChIInChI=1S/C18H27FN2/c1-2-10-20-18(16-5-3-4-6-17(16)19)9-11-21-13-14-7-8-15(21)12-14/h3-6,14-15,18,20H,2,7-13H2,1H3
InChIKeyWGZQREJORZWYIH-UHFFFAOYSA-N
XLogP3.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(azepan-1-yl)-1-(2-fluorophenyl)-N-propylpropan-1-amine
CID 62645138
5,5,5-trifluoro-1-(2-fluorophenyl)-N-propylpentan-1-amine
CID 115516684
N-[2-cyclohexyl-1-(2-fluorophenyl)ethyl]propan-1-amine
CID 55186438
3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(4-bromophenyl)-N-ethylpropan-1-amine
CID 62619810
1-(2-fluorophenyl)-4-phenyl-N-propylbutan-1-amine
CID 63417879
1-(2-fluorophenyl)-N'-methyl-N,N'-dipropylpropane-1,3-diamine
CID 62644284
3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(2-bromophenyl)propan-1-amine
CID 62629948
N-[(3-ethylcyclopentyl)-(2-fluorophenyl)methyl]propan-1-amine
CID 65410648
3-(azocan-1-yl)-N-ethyl-1-(2-fluorophenyl)propan-1-amine
CID 62644973
1-[3-(ethylamino)-3-(2-fluorophenyl)propyl]piperidin-3-ol
CID 62642826
1-(2-bromophenyl)-3-(4-methylpiperidin-1-yl)-N-propylpropan-1-amine
CID 63484292
1-(2-fluorophenyl)-N-methyl-3-(3-methylmorpholin-4-yl)propan-1-amine
CID 62644652

Frequently Asked Questions

What is the IUPAC name of 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(2-fluorophenyl)-N-propylpropan-1-amine?
The IUPAC name of 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(2-fluorophenyl)-N-propylpropan-1-amine (CID 62644007) is 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(2-fluorophenyl)-N-propylpropan-1-amine.
What is the SMILES notation for 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(2-fluorophenyl)-N-propylpropan-1-amine?
The canonical SMILES for 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(2-fluorophenyl)-N-propylpropan-1-amine is CCCNC(CCN1CC2CCC1C2)c1ccccc1F.
What is the InChIKey of 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(2-fluorophenyl)-N-propylpropan-1-amine?
The InChIKey is WGZQREJORZWYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2/c1-2-10-20-18(16-5-3-4-6-17(16)19)9-11-21-13-14-7-8-15(21)12-14/h3-6,14-15,18,20H,2,7-13H2,1H3.
What are the key properties of 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(2-fluorophenyl)-N-propylpropan-1-amine?
3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(2-fluorophenyl)-N-propylpropan-1-amine has a molecular weight of 290.43 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(2-fluorophenyl)-N-propylpropan-1-amine is sourced from PubChem (CID 62644007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).