1-[3-(dimethylamino)propyl]-6-fluoro-7-methoxy-2,2-dimethyl-3H-inden-1-ol

C17H26FNO2 — CID 58950935

IUPAC1-[3-(dimethylamino)propyl]-6-fluoro-7-methoxy-2,2-dimethyl-3H-inden-1-ol
SMILESCOc1c(F)ccc2c1C(O)(CCCN(C)C)C(C)(C)C2
InChIInChI=1S/C17H26FNO2/c1-16(2)11-12-7-8-13(18)15(21-5)14(12)17(16,20)9-6-10-19(3)4/h7-8,20H,6,9-11H2,1-5H3
InChIKeyFEXWDGAWSDEZGL-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.95
Rot. Bonds5

About 1-[3-(dimethylamino)propyl]-6-fluoro-7-methoxy-2,2-dimethyl-3H-inden-1-ol

1-[3-(dimethylamino)propyl]-6-fluoro-7-methoxy-2,2-dimethyl-3H-inden-1-ol (PubChem CID 58950935) has the molecular formula C17H26FNO2 and a molecular weight of 295.40 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-6-fluoro-7-methoxy-2,2-dimethyl-3H-inden-1-ol.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-6-fluoro-7-methoxy-2,2-dimethyl-3H-inden-1-ol
PubChem CID58950935
Molecular FormulaC17H26FNO2
Molecular Weight295.40 g/mol
Exact Mass295.19
IUPAC Name1-[3-(dimethylamino)propyl]-6-fluoro-7-methoxy-2,2-dimethyl-3H-inden-1-ol
SMILESCOc1c(F)ccc2c1C(O)(CCCN(C)C)C(C)(C)C2
InChIInChI=1S/C17H26FNO2/c1-16(2)11-12-7-8-13(18)15(21-5)14(12)17(16,20)9-6-10-19(3)4/h7-8,20H,6,9-11H2,1-5H3
InChIKeyFEXWDGAWSDEZGL-UHFFFAOYSA-N
XLogP2.95
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-6-fluoro-7-methoxy-2,2-dimethyl-3H-inden-1-ol?
The IUPAC name of 1-[3-(dimethylamino)propyl]-6-fluoro-7-methoxy-2,2-dimethyl-3H-inden-1-ol (CID 58950935) is 1-[3-(dimethylamino)propyl]-6-fluoro-7-methoxy-2,2-dimethyl-3H-inden-1-ol.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-6-fluoro-7-methoxy-2,2-dimethyl-3H-inden-1-ol?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-6-fluoro-7-methoxy-2,2-dimethyl-3H-inden-1-ol is COc1c(F)ccc2c1C(O)(CCCN(C)C)C(C)(C)C2.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-6-fluoro-7-methoxy-2,2-dimethyl-3H-inden-1-ol?
The InChIKey is FEXWDGAWSDEZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO2/c1-16(2)11-12-7-8-13(18)15(21-5)14(12)17(16,20)9-6-10-19(3)4/h7-8,20H,6,9-11H2,1-5H3.
What are the key properties of 1-[3-(dimethylamino)propyl]-6-fluoro-7-methoxy-2,2-dimethyl-3H-inden-1-ol?
1-[3-(dimethylamino)propyl]-6-fluoro-7-methoxy-2,2-dimethyl-3H-inden-1-ol has a molecular weight of 295.40 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-6-fluoro-7-methoxy-2,2-dimethyl-3H-inden-1-ol is sourced from PubChem (CID 58950935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).