1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine

C18H20FN — CID 106877772

IUPAC1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1c(C)cc(F)cc1C)C1Cc2ccccc21
InChIInChI=1S/C18H20FN/c1-11-8-14(19)9-12(2)17(11)18(20-3)16-10-13-6-4-5-7-15(13)16/h4-9,16,18,20H,10H2,1-3H3
InChIKeyFYNKEAQXCQZQHD-UHFFFAOYSA-N
MW269.36 g/mol
LogP4.04
Rot. Bonds3

About 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine

1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine (PubChem CID 106877772) has the molecular formula C18H20FN and a molecular weight of 269.36 g/mol. Its IUPAC name is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine
PubChem CID106877772
Molecular FormulaC18H20FN
Molecular Weight269.36 g/mol
Exact Mass269.16
IUPAC Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1c(C)cc(F)cc1C)C1Cc2ccccc21
InChIInChI=1S/C18H20FN/c1-11-8-14(19)9-12(2)17(11)18(20-3)16-10-13-6-4-5-7-15(13)16/h4-9,16,18,20H,10H2,1-3H3
InChIKeyFYNKEAQXCQZQHD-UHFFFAOYSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine with MolForge

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Related Compounds

1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 64984059
N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 79703599
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 66271868
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-difluorophenyl)-N-methylmethanamine
CID 64984157
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 64984445
1-(2,6-difluoro-3-methylphenyl)-1-(2,3-dihydro-1H-inden-1-yl)-N-methylmethanamine
CID 82802818
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine
CID 103433551
N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,4,5-trifluorophenyl)methyl]ethanamine
CID 103302514
[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-difluorophenyl)methyl]hydrazine
CID 105224671
[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-fluoro-5-methylphenyl)methyl]hydrazine
CID 105224652
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 66396108
1-(7-bicyclo[4.1.0]heptanyl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine
CID 106877960

Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine (CID 106877772) is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine is CNC(c1c(C)cc(F)cc1C)C1Cc2ccccc21.
What is the InChIKey of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine?
The InChIKey is FYNKEAQXCQZQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN/c1-11-8-14(19)9-12(2)17(11)18(20-3)16-10-13-6-4-5-7-15(13)16/h4-9,16,18,20H,10H2,1-3H3.
What are the key properties of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine?
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine has a molecular weight of 269.36 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 106877772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).