N-(3-fluorophenyl)-N,4-dimethyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2,5,7,9-tetraen-8-amine

C21H21FN2 — CID 51360572

IUPACN-(3-fluorophenyl)-N,4-dimethyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2,5,7,9-tetraen-8-amine
SMILESCN(c1cccc(F)c1)c1cc2c(c3c1ccn3C)C1CCC2C1
InChIInChI=1S/C21H21FN2/c1-23-9-8-17-19(24(2)16-5-3-4-15(22)11-16)12-18-13-6-7-14(10-13)20(18)21(17)23/h3-5,8-9,11-14H,6-7,10H2,1-2H3
InChIKeyNKJAQPOVMWOWRE-UHFFFAOYSA-N
MW320.41 g/mol
LogP5.45
Rot. Bonds2

About N-(3-fluorophenyl)-N,4-dimethyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2,5,7,9-tetraen-8-amine

N-(3-fluorophenyl)-N,4-dimethyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2,5,7,9-tetraen-8-amine (PubChem CID 51360572) has the molecular formula C21H21FN2 and a molecular weight of 320.41 g/mol. Its IUPAC name is N-(3-fluorophenyl)-N,4-dimethyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2,5,7,9-tetraen-8-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-N,4-dimethyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2,5,7,9-tetraen-8-amine
PubChem CID51360572
Molecular FormulaC21H21FN2
Molecular Weight320.41 g/mol
Exact Mass320.17
IUPAC NameN-(3-fluorophenyl)-N,4-dimethyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2,5,7,9-tetraen-8-amine
SMILESCN(c1cccc(F)c1)c1cc2c(c3c1ccn3C)C1CCC2C1
InChIInChI=1S/C21H21FN2/c1-23-9-8-17-19(24(2)16-5-3-4-15(22)11-16)12-18-13-6-7-14(10-13)20(18)21(17)23/h3-5,8-9,11-14H,6-7,10H2,1-2H3
InChIKeyNKJAQPOVMWOWRE-UHFFFAOYSA-N
XLogP5.45
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.41
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-N,4-dimethyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2,5,7,9-tetraen-8-amine?
The IUPAC name of N-(3-fluorophenyl)-N,4-dimethyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2,5,7,9-tetraen-8-amine (CID 51360572) is N-(3-fluorophenyl)-N,4-dimethyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2,5,7,9-tetraen-8-amine.
What is the SMILES notation for N-(3-fluorophenyl)-N,4-dimethyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2,5,7,9-tetraen-8-amine?
The canonical SMILES for N-(3-fluorophenyl)-N,4-dimethyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2,5,7,9-tetraen-8-amine is CN(c1cccc(F)c1)c1cc2c(c3c1ccn3C)C1CCC2C1.
What is the InChIKey of N-(3-fluorophenyl)-N,4-dimethyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2,5,7,9-tetraen-8-amine?
The InChIKey is NKJAQPOVMWOWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2/c1-23-9-8-17-19(24(2)16-5-3-4-15(22)11-16)12-18-13-6-7-14(10-13)20(18)21(17)23/h3-5,8-9,11-14H,6-7,10H2,1-2H3.
What are the key properties of N-(3-fluorophenyl)-N,4-dimethyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2,5,7,9-tetraen-8-amine?
N-(3-fluorophenyl)-N,4-dimethyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2,5,7,9-tetraen-8-amine has a molecular weight of 320.41 g/mol, XLogP of 5.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-N,4-dimethyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2,5,7,9-tetraen-8-amine is sourced from PubChem (CID 51360572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).