1-[2-fluoro-1-(3-fluoro-2-methylphenoxy)-6-methyl-1,3-dihydroinden-2-yl]-N-methylmethanamine

C19H21F2NO — CID 69223554

IUPAC1-[2-fluoro-1-(3-fluoro-2-methylphenoxy)-6-methyl-1,3-dihydroinden-2-yl]-N-methylmethanamine
SMILESCNCC1(F)Cc2ccc(C)cc2C1Oc1cccc(F)c1C
InChIInChI=1S/C19H21F2NO/c1-12-7-8-14-10-19(21,11-22-3)18(15(14)9-12)23-17-6-4-5-16(20)13(17)2/h4-9,18,22H,10-11H2,1-3H3
InChIKeyHWEHBJFEMGOAGS-UHFFFAOYSA-N
MW317.38 g/mol
LogP4.05
Rot. Bonds4

About 1-[2-fluoro-1-(3-fluoro-2-methylphenoxy)-6-methyl-1,3-dihydroinden-2-yl]-N-methylmethanamine

1-[2-fluoro-1-(3-fluoro-2-methylphenoxy)-6-methyl-1,3-dihydroinden-2-yl]-N-methylmethanamine (PubChem CID 69223554) has the molecular formula C19H21F2NO and a molecular weight of 317.38 g/mol. Its IUPAC name is 1-[2-fluoro-1-(3-fluoro-2-methylphenoxy)-6-methyl-1,3-dihydroinden-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-fluoro-1-(3-fluoro-2-methylphenoxy)-6-methyl-1,3-dihydroinden-2-yl]-N-methylmethanamine
PubChem CID69223554
Molecular FormulaC19H21F2NO
Molecular Weight317.38 g/mol
Exact Mass317.16
IUPAC Name1-[2-fluoro-1-(3-fluoro-2-methylphenoxy)-6-methyl-1,3-dihydroinden-2-yl]-N-methylmethanamine
SMILESCNCC1(F)Cc2ccc(C)cc2C1Oc1cccc(F)c1C
InChIInChI=1S/C19H21F2NO/c1-12-7-8-14-10-19(21,11-22-3)18(15(14)9-12)23-17-6-4-5-16(20)13(17)2/h4-9,18,22H,10-11H2,1-3H3
InChIKeyHWEHBJFEMGOAGS-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-fluoro-1-(3-fluoro-2-methylphenoxy)-6-methyl-1,3-dihydroinden-2-yl]-N-methylmethanamine with MolForge

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Related Compounds

1-[2-fluoro-1-(2-fluorophenoxy)-5-methyl-1,3-dihydroinden-2-yl]-N-methylmethanamine
CID 69220653
6-fluoro-1-(3-hydroxy-2-methylphenoxy)-2-(methylaminomethyl)-1,3-dihydroinden-2-ol
CID 69116062
3-(3-fluoro-2-methylphenoxy)cyclobutan-1-amine
CID 67812957
1-(2-ethylphenoxy)-2-(methylaminomethyl)-1,3-dihydroinden-2-ol
CID 69234284
ethane;1-ethoxy-3-fluoro-2-methylbenzene
CID 143520005
[3-(3-fluoro-2-methylphenoxy)cyclobutyl]carbamic acid
CID 67813271
2-fluoro-1-(3-fluoro-2-methylphenoxy)-1-[(2-methylanilino)methyl]-2,3-dihydroinden-5-ol
CID 69123005
(2R)-2-(3-fluoro-2-methylphenyl)aziridine
CID 55263754
(6aS,12bS)-6a-fluoro-2-methyl-6,7,8,12b-tetrahydro-5H-benzo[c]phenanthrene
CID 102435786
N-[(2-fluorophenyl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 78948023
N-[1-(2,6-difluorophenyl)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 78956223
1-[2-[(2,6-difluorophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine
CID 114930094

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-1-(3-fluoro-2-methylphenoxy)-6-methyl-1,3-dihydroinden-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-fluoro-1-(3-fluoro-2-methylphenoxy)-6-methyl-1,3-dihydroinden-2-yl]-N-methylmethanamine (CID 69223554) is 1-[2-fluoro-1-(3-fluoro-2-methylphenoxy)-6-methyl-1,3-dihydroinden-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-fluoro-1-(3-fluoro-2-methylphenoxy)-6-methyl-1,3-dihydroinden-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-fluoro-1-(3-fluoro-2-methylphenoxy)-6-methyl-1,3-dihydroinden-2-yl]-N-methylmethanamine is CNCC1(F)Cc2ccc(C)cc2C1Oc1cccc(F)c1C.
What is the InChIKey of 1-[2-fluoro-1-(3-fluoro-2-methylphenoxy)-6-methyl-1,3-dihydroinden-2-yl]-N-methylmethanamine?
The InChIKey is HWEHBJFEMGOAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2NO/c1-12-7-8-14-10-19(21,11-22-3)18(15(14)9-12)23-17-6-4-5-16(20)13(17)2/h4-9,18,22H,10-11H2,1-3H3.
What are the key properties of 1-[2-fluoro-1-(3-fluoro-2-methylphenoxy)-6-methyl-1,3-dihydroinden-2-yl]-N-methylmethanamine?
1-[2-fluoro-1-(3-fluoro-2-methylphenoxy)-6-methyl-1,3-dihydroinden-2-yl]-N-methylmethanamine has a molecular weight of 317.38 g/mol, XLogP of 4.05, 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-(3-fluoro-2-methylphenoxy)-6-methyl-1,3-dihydroinden-2-yl]-N-methylmethanamine is sourced from PubChem (CID 69223554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).