1-[2-fluoro-1-(2-fluorophenoxy)-5-methyl-1,3-dihydroinden-2-yl]-N-methylmethanamine

C18H19F2NO — CID 69220653

IUPAC1-[2-fluoro-1-(2-fluorophenoxy)-5-methyl-1,3-dihydroinden-2-yl]-N-methylmethanamine
SMILESCNCC1(F)Cc2cc(C)ccc2C1Oc1ccccc1F
InChIInChI=1S/C18H19F2NO/c1-12-7-8-14-13(9-12)10-18(20,11-21-2)17(14)22-16-6-4-3-5-15(16)19/h3-9,17,21H,10-11H2,1-2H3
InChIKeyGJUFMYRRADFMSG-UHFFFAOYSA-N
MW303.35 g/mol
LogP3.74
Rot. Bonds4

About 1-[2-fluoro-1-(2-fluorophenoxy)-5-methyl-1,3-dihydroinden-2-yl]-N-methylmethanamine

1-[2-fluoro-1-(2-fluorophenoxy)-5-methyl-1,3-dihydroinden-2-yl]-N-methylmethanamine (PubChem CID 69220653) has the molecular formula C18H19F2NO and a molecular weight of 303.35 g/mol. Its IUPAC name is 1-[2-fluoro-1-(2-fluorophenoxy)-5-methyl-1,3-dihydroinden-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-fluoro-1-(2-fluorophenoxy)-5-methyl-1,3-dihydroinden-2-yl]-N-methylmethanamine
PubChem CID69220653
Molecular FormulaC18H19F2NO
Molecular Weight303.35 g/mol
Exact Mass303.14
IUPAC Name1-[2-fluoro-1-(2-fluorophenoxy)-5-methyl-1,3-dihydroinden-2-yl]-N-methylmethanamine
SMILESCNCC1(F)Cc2cc(C)ccc2C1Oc1ccccc1F
InChIInChI=1S/C18H19F2NO/c1-12-7-8-14-13(9-12)10-18(20,11-21-2)17(14)22-16-6-4-3-5-15(16)19/h3-9,17,21H,10-11H2,1-2H3
InChIKeyGJUFMYRRADFMSG-UHFFFAOYSA-N
XLogP3.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-1-(2-fluorophenoxy)-5-methyl-1,3-dihydroinden-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-fluoro-1-(2-fluorophenoxy)-5-methyl-1,3-dihydroinden-2-yl]-N-methylmethanamine (CID 69220653) is 1-[2-fluoro-1-(2-fluorophenoxy)-5-methyl-1,3-dihydroinden-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-fluoro-1-(2-fluorophenoxy)-5-methyl-1,3-dihydroinden-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-fluoro-1-(2-fluorophenoxy)-5-methyl-1,3-dihydroinden-2-yl]-N-methylmethanamine is CNCC1(F)Cc2cc(C)ccc2C1Oc1ccccc1F.
What is the InChIKey of 1-[2-fluoro-1-(2-fluorophenoxy)-5-methyl-1,3-dihydroinden-2-yl]-N-methylmethanamine?
The InChIKey is GJUFMYRRADFMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO/c1-12-7-8-14-13(9-12)10-18(20,11-21-2)17(14)22-16-6-4-3-5-15(16)19/h3-9,17,21H,10-11H2,1-2H3.
What are the key properties of 1-[2-fluoro-1-(2-fluorophenoxy)-5-methyl-1,3-dihydroinden-2-yl]-N-methylmethanamine?
1-[2-fluoro-1-(2-fluorophenoxy)-5-methyl-1,3-dihydroinden-2-yl]-N-methylmethanamine has a molecular weight of 303.35 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-1-(2-fluorophenoxy)-5-methyl-1,3-dihydroinden-2-yl]-N-methylmethanamine is sourced from PubChem (CID 69220653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).