1-(2-fluoro-5-methyl-1,3-dihydroinden-2-yl)-1-(4-fluoro-2-methylphenoxy)-N-methylmethanamine

C19H21F2NO — CID 69222275

IUPAC1-(2-fluoro-5-methyl-1,3-dihydroinden-2-yl)-1-(4-fluoro-2-methylphenoxy)-N-methylmethanamine
SMILESCNC(Oc1ccc(F)cc1C)C1(F)Cc2ccc(C)cc2C1
InChIInChI=1S/C19H21F2NO/c1-12-4-5-14-10-19(21,11-15(14)8-12)18(22-3)23-17-7-6-16(20)9-13(17)2/h4-9,18,22H,10-11H2,1-3H3
InChIKeyWNNWJODINAIZIB-UHFFFAOYSA-N
MW317.38 g/mol
LogP3.87
Rot. Bonds4

About 1-(2-fluoro-5-methyl-1,3-dihydroinden-2-yl)-1-(4-fluoro-2-methylphenoxy)-N-methylmethanamine

1-(2-fluoro-5-methyl-1,3-dihydroinden-2-yl)-1-(4-fluoro-2-methylphenoxy)-N-methylmethanamine (PubChem CID 69222275) has the molecular formula C19H21F2NO and a molecular weight of 317.38 g/mol. Its IUPAC name is 1-(2-fluoro-5-methyl-1,3-dihydroinden-2-yl)-1-(4-fluoro-2-methylphenoxy)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-fluoro-5-methyl-1,3-dihydroinden-2-yl)-1-(4-fluoro-2-methylphenoxy)-N-methylmethanamine
PubChem CID69222275
Molecular FormulaC19H21F2NO
Molecular Weight317.38 g/mol
Exact Mass317.16
IUPAC Name1-(2-fluoro-5-methyl-1,3-dihydroinden-2-yl)-1-(4-fluoro-2-methylphenoxy)-N-methylmethanamine
SMILESCNC(Oc1ccc(F)cc1C)C1(F)Cc2ccc(C)cc2C1
InChIInChI=1S/C19H21F2NO/c1-12-4-5-14-10-19(21,11-15(14)8-12)18(22-3)23-17-7-6-16(20)9-13(17)2/h4-9,18,22H,10-11H2,1-3H3
InChIKeyWNNWJODINAIZIB-UHFFFAOYSA-N
XLogP3.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methyl-1,3-dihydroinden-2-yl)-1-(4-fluoro-2-methylphenoxy)-N-methylmethanamine?
The IUPAC name of 1-(2-fluoro-5-methyl-1,3-dihydroinden-2-yl)-1-(4-fluoro-2-methylphenoxy)-N-methylmethanamine (CID 69222275) is 1-(2-fluoro-5-methyl-1,3-dihydroinden-2-yl)-1-(4-fluoro-2-methylphenoxy)-N-methylmethanamine.
What is the SMILES notation for 1-(2-fluoro-5-methyl-1,3-dihydroinden-2-yl)-1-(4-fluoro-2-methylphenoxy)-N-methylmethanamine?
The canonical SMILES for 1-(2-fluoro-5-methyl-1,3-dihydroinden-2-yl)-1-(4-fluoro-2-methylphenoxy)-N-methylmethanamine is CNC(Oc1ccc(F)cc1C)C1(F)Cc2ccc(C)cc2C1.
What is the InChIKey of 1-(2-fluoro-5-methyl-1,3-dihydroinden-2-yl)-1-(4-fluoro-2-methylphenoxy)-N-methylmethanamine?
The InChIKey is WNNWJODINAIZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2NO/c1-12-4-5-14-10-19(21,11-15(14)8-12)18(22-3)23-17-7-6-16(20)9-13(17)2/h4-9,18,22H,10-11H2,1-3H3.
What are the key properties of 1-(2-fluoro-5-methyl-1,3-dihydroinden-2-yl)-1-(4-fluoro-2-methylphenoxy)-N-methylmethanamine?
1-(2-fluoro-5-methyl-1,3-dihydroinden-2-yl)-1-(4-fluoro-2-methylphenoxy)-N-methylmethanamine has a molecular weight of 317.38 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methyl-1,3-dihydroinden-2-yl)-1-(4-fluoro-2-methylphenoxy)-N-methylmethanamine is sourced from PubChem (CID 69222275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).