2-[(dimethylamino)methyl]-6-fluoro-2,3-dihydro-1H-inden-1-ol

C12H16FNO — CID 23284393

IUPAC2-[(dimethylamino)methyl]-6-fluoro-2,3-dihydro-1H-inden-1-ol
SMILESCN(C)CC1Cc2ccc(F)cc2C1O
InChIInChI=1S/C12H16FNO/c1-14(2)7-9-5-8-3-4-10(13)6-11(8)12(9)15/h3-4,6,9,12,15H,5,7H2,1-2H3
InChIKeyLEXNEFDBOQPOCY-UHFFFAOYSA-N
MW209.26 g/mol
LogP1.59
Rot. Bonds2

About 2-[(dimethylamino)methyl]-6-fluoro-2,3-dihydro-1H-inden-1-ol

2-[(dimethylamino)methyl]-6-fluoro-2,3-dihydro-1H-inden-1-ol (PubChem CID 23284393) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-6-fluoro-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-6-fluoro-2,3-dihydro-1H-inden-1-ol
PubChem CID23284393
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name2-[(dimethylamino)methyl]-6-fluoro-2,3-dihydro-1H-inden-1-ol
SMILESCN(C)CC1Cc2ccc(F)cc2C1O
InChIInChI=1S/C12H16FNO/c1-14(2)7-9-5-8-3-4-10(13)6-11(8)12(9)15/h3-4,6,9,12,15H,5,7H2,1-2H3
InChIKeyLEXNEFDBOQPOCY-UHFFFAOYSA-N
XLogP1.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-Methylpiperidin-4-yl)-2,3-dihydro-1H-inden-1-ol
CID 210015
1-Piperidinepropanol, alpha-(p-fluorophenyl)-beta-methyl-, hydrochloride
CID 214248
(1S,3R)-4,7-difluoro-3-methyl-2,3-dihydro-1H-inden-1-ol
CID 23234483
(1R,3R)-4,7-difluoro-3-methyl-2,3-dihydro-1H-inden-1-ol
CID 23234484
(E)-7-(dimethylamino)-4-(4-fluorophenyl)hept-2-ene-1,4-diol
CID 9835111
1-(4-Fluorophenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 9837417
1-[1-[2-(4-Fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroinden-1-ol
CID 10268792
6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 11565356
4-(Dimethylamino)-1-(4-fluorophenyl)butan-1-ol
CID 17933631
1-(Dimethylamino)-3-(3-fluorophenyl)-2-methylpentan-3-ol
CID 18322684
3-(Dimethylamino)-1-(4-fluorophenyl)propan-1-ol
CID 19025852
6-Fluoro-3-(4'-fluorophenyl)-3-hydroxy-1-(1-methyl-4-piperidyl)indane
CID 20277028

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-6-fluoro-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 2-[(dimethylamino)methyl]-6-fluoro-2,3-dihydro-1H-inden-1-ol (CID 23284393) is 2-[(dimethylamino)methyl]-6-fluoro-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 2-[(dimethylamino)methyl]-6-fluoro-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 2-[(dimethylamino)methyl]-6-fluoro-2,3-dihydro-1H-inden-1-ol is CN(C)CC1Cc2ccc(F)cc2C1O.
What is the InChIKey of 2-[(dimethylamino)methyl]-6-fluoro-2,3-dihydro-1H-inden-1-ol?
The InChIKey is LEXNEFDBOQPOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-14(2)7-9-5-8-3-4-10(13)6-11(8)12(9)15/h3-4,6,9,12,15H,5,7H2,1-2H3.
What are the key properties of 2-[(dimethylamino)methyl]-6-fluoro-2,3-dihydro-1H-inden-1-ol?
2-[(dimethylamino)methyl]-6-fluoro-2,3-dihydro-1H-inden-1-ol has a molecular weight of 209.26 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-6-fluoro-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 23284393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).