1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-difluorophenyl)-N-methylmethanamine

C16H15F2N — CID 64984157

IUPAC1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-difluorophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(F)c1F)C1Cc2ccccc21
InChIInChI=1S/C16H15F2N/c1-19-16(12-7-4-8-14(17)15(12)18)13-9-10-5-2-3-6-11(10)13/h2-8,13,16,19H,9H2,1H3
InChIKeyPOHKTLCHNTZMFS-UHFFFAOYSA-N
MW259.30 g/mol
LogP3.57
Rot. Bonds3

About 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-difluorophenyl)-N-methylmethanamine

1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-difluorophenyl)-N-methylmethanamine (PubChem CID 64984157) has the molecular formula C16H15F2N and a molecular weight of 259.30 g/mol. Its IUPAC name is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-difluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-difluorophenyl)-N-methylmethanamine
PubChem CID64984157
Molecular FormulaC16H15F2N
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-difluorophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(F)c1F)C1Cc2ccccc21
InChIInChI=1S/C16H15F2N/c1-19-16(12-7-4-8-14(17)15(12)18)13-9-10-5-2-3-6-11(10)13/h2-8,13,16,19H,9H2,1H3
InChIKeyPOHKTLCHNTZMFS-UHFFFAOYSA-N
XLogP3.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2,3-difluorophenyl)-N-methylethanamine
CID 64984397
1-(2-fluorophenyl)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 63250536
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-bromo-2-fluorophenyl)methyl]propan-1-amine
CID 106645627
[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-difluorophenyl)methyl]hydrazine
CID 105224671
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine
CID 106877772
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-methoxy-3,4-dimethylphenyl)-N-methylmethanamine
CID 103433551
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(cyclohepten-1-yl)-N-methylmethanamine
CID 66396114
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 64984445
1-(2-chlorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-N-methylmethanamine
CID 65403390
N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,4,5-trifluorophenyl)methyl]ethanamine
CID 103302514

Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-difluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-difluorophenyl)-N-methylmethanamine (CID 64984157) is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-difluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-difluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-difluorophenyl)-N-methylmethanamine is CNC(c1cccc(F)c1F)C1Cc2ccccc21.
What is the InChIKey of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-difluorophenyl)-N-methylmethanamine?
The InChIKey is POHKTLCHNTZMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N/c1-19-16(12-7-4-8-14(17)15(12)18)13-9-10-5-2-3-6-11(10)13/h2-8,13,16,19H,9H2,1H3.
What are the key properties of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-difluorophenyl)-N-methylmethanamine?
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-difluorophenyl)-N-methylmethanamine has a molecular weight of 259.30 g/mol, XLogP of 3.57, 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-(2,3-difluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 64984157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).