7-bicyclo[4.2.0]octa-1,3,5-trienyl-(5-fluoro-2-methoxyphenyl)methanamine

C16H16FNO — CID 66394751

IUPAC7-bicyclo[4.2.0]octa-1,3,5-trienyl-(5-fluoro-2-methoxyphenyl)methanamine
SMILESCOc1ccc(F)cc1C(N)C1Cc2ccccc21
InChIInChI=1S/C16H16FNO/c1-19-15-7-6-11(17)9-14(15)16(18)13-8-10-4-2-3-5-12(10)13/h2-7,9,13,16H,8,18H2,1H3
InChIKeySPBLJLITLZIASY-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.17
Rot. Bonds3

About 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(5-fluoro-2-methoxyphenyl)methanamine

7-bicyclo[4.2.0]octa-1,3,5-trienyl-(5-fluoro-2-methoxyphenyl)methanamine (PubChem CID 66394751) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(5-fluoro-2-methoxyphenyl)methanamine.

Molecular Properties

Compound Name7-bicyclo[4.2.0]octa-1,3,5-trienyl-(5-fluoro-2-methoxyphenyl)methanamine
PubChem CID66394751
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name7-bicyclo[4.2.0]octa-1,3,5-trienyl-(5-fluoro-2-methoxyphenyl)methanamine
SMILESCOc1ccc(F)cc1C(N)C1Cc2ccccc21
InChIInChI=1S/C16H16FNO/c1-19-15-7-6-11(17)9-14(15)16(18)13-8-10-4-2-3-5-12(10)13/h2-7,9,13,16H,8,18H2,1H3
InChIKeySPBLJLITLZIASY-UHFFFAOYSA-N
XLogP3.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-fluoro-2-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 62718085
2,3-dihydro-1-benzothiophen-3-yl-(5-fluoro-2-methoxyphenyl)methanamine
CID 105176556
(R)-cyclohexyl-(5-fluoro-2-methoxyphenyl)methanamine
CID 93023442
(2,6-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 43122398
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-methoxyphenyl)methanamine
CID 64984334
(5-fluoro-2-methoxyphenyl)-(2-methylcyclopentyl)methanamine
CID 107177071
(5-fluoro-2-methoxyphenyl)-(1-methylpyrrolidin-3-yl)methanamine
CID 83824626
1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-5-fluorophenyl]propan-2-amine
CID 107700921
amino-(5-fluoro-2-methoxyphenyl)methanethiol
CID 116939436
4-[amino-(5-fluoro-2-methoxyphenyl)methyl]cyclohexan-1-one
CID 116941932
(1R)-2,2,2-trifluoro-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 28966440
(2,6-difluorophenyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 43122336

Frequently Asked Questions

What is the IUPAC name of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(5-fluoro-2-methoxyphenyl)methanamine?
The IUPAC name of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(5-fluoro-2-methoxyphenyl)methanamine (CID 66394751) is 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(5-fluoro-2-methoxyphenyl)methanamine.
What is the SMILES notation for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(5-fluoro-2-methoxyphenyl)methanamine?
The canonical SMILES for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(5-fluoro-2-methoxyphenyl)methanamine is COc1ccc(F)cc1C(N)C1Cc2ccccc21.
What is the InChIKey of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(5-fluoro-2-methoxyphenyl)methanamine?
The InChIKey is SPBLJLITLZIASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c1-19-15-7-6-11(17)9-14(15)16(18)13-8-10-4-2-3-5-12(10)13/h2-7,9,13,16H,8,18H2,1H3.
What are the key properties of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(5-fluoro-2-methoxyphenyl)methanamine?
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(5-fluoro-2-methoxyphenyl)methanamine has a molecular weight of 257.31 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(5-fluoro-2-methoxyphenyl)methanamine is sourced from PubChem (CID 66394751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).