2-[(4-fluorophenyl)methyl]-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-dien-8-imine

C18H19FN2 — CID 2857612

IUPAC2-[(4-fluorophenyl)methyl]-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-dien-8-imine
SMILES[H]N=c1c2c(n(Cc3ccc(F)cc3)c3c1CCC3)CCC2
InChIInChI=1S/C18H19FN2/c19-13-9-7-12(8-10-13)11-21-16-5-1-3-14(16)18(20)15-4-2-6-17(15)21/h7-10,20H,1-6,11H2
InChIKeyDTKPOBDBQAIYNS-UHFFFAOYSA-N
MW282.36 g/mol
LogP3.13
Rot. Bonds2

About 2-[(4-fluorophenyl)methyl]-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-dien-8-imine

2-[(4-fluorophenyl)methyl]-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-dien-8-imine (PubChem CID 2857612) has the molecular formula C18H19FN2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-dien-8-imine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-dien-8-imine
PubChem CID2857612
Molecular FormulaC18H19FN2
Molecular Weight282.36 g/mol
Exact Mass282.15
IUPAC Name2-[(4-fluorophenyl)methyl]-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-dien-8-imine
SMILES[H]N=c1c2c(n(Cc3ccc(F)cc3)c3c1CCC3)CCC2
InChIInChI=1S/C18H19FN2/c19-13-9-7-12(8-10-13)11-21-16-5-1-3-14(16)18(20)15-4-2-6-17(15)21/h7-10,20H,1-6,11H2
InChIKeyDTKPOBDBQAIYNS-UHFFFAOYSA-N
XLogP3.13
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(4-fluorophenyl)methyl]-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-dien-8-imine with MolForge

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Related Compounds

1-(3-Fluoro-benzyl)-1H-pyridin-4-ylideneamine
CID 16682222
1-(4-Fluoro-benzyl)-1H-pyridin-4-ylideneamine
CID 16682137
4-benzyl-2,3,4,5,6,7-hexahydrodicyclopenta[b,e]pyridin-8(1H)-imine
CID 659366
4-(4-chlorobenzyl)-2,3,4,5,6,7-hexahydrodicyclopenta[b,e]pyridin-8(1H)-imine
CID 665017
4-benzyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine
CID 828168
4-(4-chlorobenzyl)-2,3,4,5,6,7-hexahydrodicyclopenta[b,e]pyridin-8(1H)-imine hydrochloride
CID 6603212
4-benzyl-2,3,4,5,6,7-hexahydrodicyclopenta[b,e]pyridin-8(1H)-imine hydrochloride
CID 6603247
CID 16193001
CID 16193001
4-(2-phenylethyl)-1,2,3,4,5,6,7,8-octahydro-9H-cyclopenta[b]quinolin-9-imine
CID 23820479
4-benzyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydrochloride
CID 44522064
[4-(4-fluorobenzyl)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-ylidene]amine;hydrochloride
CID 828174
1-(3-fluorobenzyl)pyridin-4(1H)-imine
CID 911166

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-dien-8-imine?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-dien-8-imine (CID 2857612) is 2-[(4-fluorophenyl)methyl]-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-dien-8-imine.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-dien-8-imine?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-dien-8-imine is [H]N=c1c2c(n(Cc3ccc(F)cc3)c3c1CCC3)CCC2.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-dien-8-imine?
The InChIKey is DTKPOBDBQAIYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2/c19-13-9-7-12(8-10-13)11-21-16-5-1-3-14(16)18(20)15-4-2-6-17(15)21/h7-10,20H,1-6,11H2.
What are the key properties of 2-[(4-fluorophenyl)methyl]-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-dien-8-imine?
2-[(4-fluorophenyl)methyl]-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-dien-8-imine has a molecular weight of 282.36 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-dien-8-imine is sourced from PubChem (CID 2857612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).