1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-5-fluorophenyl]propan-2-amine

C18H20FNO — CID 107700921

IUPAC1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-5-fluorophenyl]propan-2-amine
SMILESCC(N)Cc1cc(F)ccc1OCC1Cc2ccccc21
InChIInChI=1S/C18H20FNO/c1-12(20)8-14-10-16(19)6-7-18(14)21-11-15-9-13-4-2-3-5-17(13)15/h2-7,10,12,15H,8-9,11,20H2,1H3
InChIKeyGMLDSTXCMYZQOQ-UHFFFAOYSA-N
MW285.36 g/mol
LogP3.43
Rot. Bonds5

About 1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-5-fluorophenyl]propan-2-amine

1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-5-fluorophenyl]propan-2-amine (PubChem CID 107700921) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-5-fluorophenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-5-fluorophenyl]propan-2-amine
PubChem CID107700921
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-5-fluorophenyl]propan-2-amine
SMILESCC(N)Cc1cc(F)ccc1OCC1Cc2ccccc21
InChIInChI=1S/C18H20FNO/c1-12(20)8-14-10-16(19)6-7-18(14)21-11-15-9-13-4-2-3-5-17(13)15/h2-7,10,12,15H,8-9,11,20H2,1H3
InChIKeyGMLDSTXCMYZQOQ-UHFFFAOYSA-N
XLogP3.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-5-fluorophenyl]propan-2-amine with MolForge

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Related Compounds

1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)phenyl]butan-2-amine
CID 66394674
1-(2-ethoxy-5-fluorophenyl)propan-2-amine
CID 55254144
3-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-5-fluorophenyl]prop-2-yn-1-amine
CID 66396614
1-(5-fluoro-2-propoxyphenyl)propan-2-amine
CID 103694484
1-[2-(2,5-difluorophenoxy)-5-fluorophenyl]propan-2-amine
CID 63803167
1-[2-(2-chlorophenoxy)-5-fluorophenyl]propan-2-amine
CID 63804291
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(5-fluoro-2-methoxyphenyl)methanamine
CID 66394751
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 105003671
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)phenol
CID 66417200
1-[2-[(2,6-dimethylphenyl)methoxy]-5-fluorophenyl]propan-2-amine
CID 107701121
1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-5-methylphenyl]-N-methylmethanamine
CID 66419666
2-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-5-bromophenyl]ethanamine
CID 66397004

Frequently Asked Questions

What is the IUPAC name of 1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-5-fluorophenyl]propan-2-amine?
The IUPAC name of 1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-5-fluorophenyl]propan-2-amine (CID 107700921) is 1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-5-fluorophenyl]propan-2-amine.
What is the SMILES notation for 1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-5-fluorophenyl]propan-2-amine?
The canonical SMILES for 1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-5-fluorophenyl]propan-2-amine is CC(N)Cc1cc(F)ccc1OCC1Cc2ccccc21.
What is the InChIKey of 1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-5-fluorophenyl]propan-2-amine?
The InChIKey is GMLDSTXCMYZQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-12(20)8-14-10-16(19)6-7-18(14)21-11-15-9-13-4-2-3-5-17(13)15/h2-7,10,12,15H,8-9,11,20H2,1H3.
What are the key properties of 1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-5-fluorophenyl]propan-2-amine?
1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-5-fluorophenyl]propan-2-amine has a molecular weight of 285.36 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-5-fluorophenyl]propan-2-amine is sourced from PubChem (CID 107700921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).