7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-difluoro-3-methylphenyl)methanamine

C16H15F2N — CID 82822545

IUPAC7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-difluoro-3-methylphenyl)methanamine
SMILESCc1ccc(F)c(C(N)C2Cc3ccccc32)c1F
InChIInChI=1S/C16H15F2N/c1-9-6-7-13(17)14(15(9)18)16(19)12-8-10-4-2-3-5-11(10)12/h2-7,12,16H,8,19H2,1H3
InChIKeyQGIHSERYERQXHV-UHFFFAOYSA-N
MW259.30 g/mol
LogP3.61
Rot. Bonds2

About 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-difluoro-3-methylphenyl)methanamine

7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-difluoro-3-methylphenyl)methanamine (PubChem CID 82822545) has the molecular formula C16H15F2N and a molecular weight of 259.30 g/mol. Its IUPAC name is 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-difluoro-3-methylphenyl)methanamine.

Molecular Properties

Compound Name7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-difluoro-3-methylphenyl)methanamine
PubChem CID82822545
Molecular FormulaC16H15F2N
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-difluoro-3-methylphenyl)methanamine
SMILESCc1ccc(F)c(C(N)C2Cc3ccccc32)c1F
InChIInChI=1S/C16H15F2N/c1-9-6-7-13(17)14(15(9)18)16(19)12-8-10-4-2-3-5-11(10)12/h2-7,12,16H,8,19H2,1H3
InChIKeyQGIHSERYERQXHV-UHFFFAOYSA-N
XLogP3.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-difluoro-3-methylphenyl)methanamine with MolForge

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Related Compounds

7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-difluorophenyl)methanamine
CID 64984280
3-[amino(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methyl]-4-methylpyridin-2-amine
CID 64983989
(R)-cyclopropyl-(2,6-difluoro-3-methylphenyl)methanamine
CID 55253707
(S)-cyclopropyl-(2,6-difluoro-3-methylphenyl)methanamine
CID 130707474
1-(2,6-difluoro-3-methylphenyl)-1-(2,3-dihydro-1H-inden-1-yl)-N-methylmethanamine
CID 82802818
(2-fluoro-4,6-dimethylphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 106881515
[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-difluorophenyl)methyl]hydrazine
CID 105224671
bis(2,6-difluoro-3-methylphenyl)methanamine
CID 105027229
[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-fluoro-5-methylphenyl)methyl]hydrazine
CID 105224652
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(5-fluoro-2-methoxyphenyl)methanamine
CID 66394751
1-(2,6-difluoro-3-methylphenyl)ethanamine
CID 55283283
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-methoxyphenyl)methanamine
CID 64984334

Frequently Asked Questions

What is the IUPAC name of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-difluoro-3-methylphenyl)methanamine?
The IUPAC name of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-difluoro-3-methylphenyl)methanamine (CID 82822545) is 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-difluoro-3-methylphenyl)methanamine.
What is the SMILES notation for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-difluoro-3-methylphenyl)methanamine?
The canonical SMILES for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-difluoro-3-methylphenyl)methanamine is Cc1ccc(F)c(C(N)C2Cc3ccccc32)c1F.
What is the InChIKey of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-difluoro-3-methylphenyl)methanamine?
The InChIKey is QGIHSERYERQXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N/c1-9-6-7-13(17)14(15(9)18)16(19)12-8-10-4-2-3-5-11(10)12/h2-7,12,16H,8,19H2,1H3.
What are the key properties of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-difluoro-3-methylphenyl)methanamine?
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-difluoro-3-methylphenyl)methanamine has a molecular weight of 259.30 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-difluoro-3-methylphenyl)methanamine is sourced from PubChem (CID 82822545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).