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

C22H23FN2 — CID 51360557

IUPACN-[(2-fluorophenyl)methyl]-N,4-dimethyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2,5,7,9-tetraen-8-amine
SMILESCN(Cc1ccccc1F)c1cc2c(c3c1ccn3C)C1CCC2C1
InChIInChI=1S/C22H23FN2/c1-24-10-9-17-20(25(2)13-16-5-3-4-6-19(16)23)12-18-14-7-8-15(11-14)21(18)22(17)24/h3-6,9-10,12,14-15H,7-8,11,13H2,1-2H3
InChIKeyWFNKSKBXGDSPKW-UHFFFAOYSA-N
MW334.44 g/mol
LogP5.32
Rot. Bonds3

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

N-[(2-fluorophenyl)methyl]-N,4-dimethyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2,5,7,9-tetraen-8-amine (PubChem CID 51360557) has the molecular formula C22H23FN2 and a molecular weight of 334.44 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N,4-dimethyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2,5,7,9-tetraen-8-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N,4-dimethyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2,5,7,9-tetraen-8-amine
PubChem CID51360557
Molecular FormulaC22H23FN2
Molecular Weight334.44 g/mol
Exact Mass334.18
IUPAC NameN-[(2-fluorophenyl)methyl]-N,4-dimethyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2,5,7,9-tetraen-8-amine
SMILESCN(Cc1ccccc1F)c1cc2c(c3c1ccn3C)C1CCC2C1
InChIInChI=1S/C22H23FN2/c1-24-10-9-17-20(25(2)13-16-5-3-4-6-19(16)23)12-18-14-7-8-15(11-14)21(18)22(17)24/h3-6,9-10,12,14-15H,7-8,11,13H2,1-2H3
InChIKeyWFNKSKBXGDSPKW-UHFFFAOYSA-N
XLogP5.32
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.44
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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N-((1-octyl-5-m-tolyl-1H-indol-3-yl)methyl)-N-propylpropan-1-amine
CID 49783392
(3R,4S)-1-[(1R)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine
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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-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-[(2-fluorophenyl)methyl]-N,4-dimethyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2,5,7,9-tetraen-8-amine (CID 51360557) is N-[(2-fluorophenyl)methyl]-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-[(2-fluorophenyl)methyl]-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-[(2-fluorophenyl)methyl]-N,4-dimethyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2,5,7,9-tetraen-8-amine is CN(Cc1ccccc1F)c1cc2c(c3c1ccn3C)C1CCC2C1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N,4-dimethyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2,5,7,9-tetraen-8-amine?
The InChIKey is WFNKSKBXGDSPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2/c1-24-10-9-17-20(25(2)13-16-5-3-4-6-19(16)23)12-18-14-7-8-15(11-14)21(18)22(17)24/h3-6,9-10,12,14-15H,7-8,11,13H2,1-2H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-N,4-dimethyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2,5,7,9-tetraen-8-amine?
N-[(2-fluorophenyl)methyl]-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 334.44 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-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 51360557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).