3-(2-fluorophenyl)-N,9-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-10-amine

C19H19FN2 — CID 177161442

IUPAC3-(2-fluorophenyl)-N,9-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-10-amine
SMILESCNC1Cn2cc(-c3ccccc3F)c3cccc(c32)C1C
InChIInChI=1S/C19H19FN2/c1-12-13-7-5-8-15-16(14-6-3-4-9-17(14)20)10-22(19(13)15)11-18(12)21-2/h3-10,12,18,21H,11H2,1-2H3
InChIKeyWFLJCGUPDGRROH-UHFFFAOYSA-N
MW294.37 g/mol
LogP4.15
Rot. Bonds2

About 3-(2-fluorophenyl)-N,9-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-10-amine

3-(2-fluorophenyl)-N,9-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-10-amine (PubChem CID 177161442) has the molecular formula C19H19FN2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N,9-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-10-amine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N,9-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-10-amine
PubChem CID177161442
Molecular FormulaC19H19FN2
Molecular Weight294.37 g/mol
Exact Mass294.15
IUPAC Name3-(2-fluorophenyl)-N,9-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-10-amine
SMILESCNC1Cn2cc(-c3ccccc3F)c3cccc(c32)C1C
InChIInChI=1S/C19H19FN2/c1-12-13-7-5-8-15-16(14-6-3-4-9-17(14)20)10-22(19(13)15)11-18(12)21-2/h3-10,12,18,21H,11H2,1-2H3
InChIKeyWFLJCGUPDGRROH-UHFFFAOYSA-N
XLogP4.15
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-fluorophenyl)-9-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene
CID 177161441
3-bromo-N,N,9-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-10-amine
CID 177161440
6-fluoro-3-(2-fluorophenyl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;methanamine
CID 177161431
5,6-difluoro-10-(methylamino)-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-9-ol;5,6-difluoro-9-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene;ethane;N-methylmethanamine
CID 177161567
(2,6-difluorophenyl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 114498326
7-fluoro-N-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 43511838
3-(2,6-difluorophenyl)-N,2-dimethylcyclopentan-1-amine
CID 64908109
9,10-bis(2-fluorophenyl)anthracene
CID 101446406
(6R)-2-(2-fluorophenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 129462659
1,2-difluoro-3-(2-fluorophenyl)benzene;methanol
CID 70977056
(1R,3S)-3-(7-fluoro-1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 24886833
1-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylpiperidin-3-amine
CID 119920467

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N,9-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-10-amine?
The IUPAC name of 3-(2-fluorophenyl)-N,9-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-10-amine (CID 177161442) is 3-(2-fluorophenyl)-N,9-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-10-amine.
What is the SMILES notation for 3-(2-fluorophenyl)-N,9-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-10-amine?
The canonical SMILES for 3-(2-fluorophenyl)-N,9-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-10-amine is CNC1Cn2cc(-c3ccccc3F)c3cccc(c32)C1C.
What is the InChIKey of 3-(2-fluorophenyl)-N,9-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-10-amine?
The InChIKey is WFLJCGUPDGRROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2/c1-12-13-7-5-8-15-16(14-6-3-4-9-17(14)20)10-22(19(13)15)11-18(12)21-2/h3-10,12,18,21H,11H2,1-2H3.
What are the key properties of 3-(2-fluorophenyl)-N,9-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-10-amine?
3-(2-fluorophenyl)-N,9-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-10-amine has a molecular weight of 294.37 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N,9-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-10-amine is sourced from PubChem (CID 177161442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).