2-(5,6-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-N-methylethanamine

C18H19F2N — CID 83985198

IUPAC2-(5,6-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-N-methylethanamine
SMILESCNCCC1c2ccccc2CCc2cc(F)c(F)cc21
InChIInChI=1S/C18H19F2N/c1-21-9-8-15-14-5-3-2-4-12(14)6-7-13-10-17(19)18(20)11-16(13)15/h2-5,10-11,15,21H,6-9H2,1H3
InChIKeyACXFTUOTOPGBPB-UHFFFAOYSA-N
MW287.35 g/mol
LogP3.80
Rot. Bonds3

About 2-(5,6-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-N-methylethanamine

2-(5,6-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-N-methylethanamine (PubChem CID 83985198) has the molecular formula C18H19F2N and a molecular weight of 287.35 g/mol. Its IUPAC name is 2-(5,6-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5,6-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-N-methylethanamine
PubChem CID83985198
Molecular FormulaC18H19F2N
Molecular Weight287.35 g/mol
Exact Mass287.15
IUPAC Name2-(5,6-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-N-methylethanamine
SMILESCNCCC1c2ccccc2CCc2cc(F)c(F)cc21
InChIInChI=1S/C18H19F2N/c1-21-9-8-15-14-5-3-2-4-12(14)6-7-13-10-17(19)18(20)11-16(13)15/h2-5,10-11,15,21H,6-9H2,1H3
InChIKeyACXFTUOTOPGBPB-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(5,6-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)butan-2-one
CID 83985204
3-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-N-methylpropan-1-amine
CID 83985427
2,2,2-trifluoro-N-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)ethyl]ethanamine
CID 83985096
3-(7-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)-N-methylpropan-1-amine
CID 163931626
2-(3,4-dihydro-1H-isochromen-1-yl)-N-methylethanamine
CID 14141276
N-methyl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanamine
CID 115104867
3-(5,6-difluoro-13-methoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl)propanoic acid
CID 83985211
3-(6-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)propanoic acid
CID 83985117
1-(2,6-difluoro-3-methylphenyl)-1-(2,3-dihydro-1H-inden-1-yl)-N-methylmethanamine
CID 82802818
2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylethanamine
CID 84620948
3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propanenitrile
CID 10848103
1-(6-methoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)-N-methylpropan-2-amine
CID 83985344

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-N-methylethanamine?
The IUPAC name of 2-(5,6-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-N-methylethanamine (CID 83985198) is 2-(5,6-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-N-methylethanamine.
What is the SMILES notation for 2-(5,6-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-N-methylethanamine?
The canonical SMILES for 2-(5,6-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-N-methylethanamine is CNCCC1c2ccccc2CCc2cc(F)c(F)cc21.
What is the InChIKey of 2-(5,6-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-N-methylethanamine?
The InChIKey is ACXFTUOTOPGBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N/c1-21-9-8-15-14-5-3-2-4-12(14)6-7-13-10-17(19)18(20)11-16(13)15/h2-5,10-11,15,21H,6-9H2,1H3.
What are the key properties of 2-(5,6-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-N-methylethanamine?
2-(5,6-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-N-methylethanamine has a molecular weight of 287.35 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-N-methylethanamine is sourced from PubChem (CID 83985198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).