[6-(2-aminoethoxy)-4-fluoro-2,3-dihydro-1H-inden-2-yl]methanol

C12H16FNO2 — CID 156862749

IUPAC[6-(2-aminoethoxy)-4-fluoro-2,3-dihydro-1H-inden-2-yl]methanol
SMILESNCCOc1cc(F)c2c(c1)CC(CO)C2
InChIInChI=1S/C12H16FNO2/c13-12-6-10(16-2-1-14)5-9-3-8(7-15)4-11(9)12/h5-6,8,15H,1-4,7,14H2
InChIKeyMXNSSBDAZLKQHY-UHFFFAOYSA-N
MW225.26 g/mol
LogP0.87
Rot. Bonds4

About [6-(2-aminoethoxy)-4-fluoro-2,3-dihydro-1H-inden-2-yl]methanol

[6-(2-aminoethoxy)-4-fluoro-2,3-dihydro-1H-inden-2-yl]methanol (PubChem CID 156862749) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is [6-(2-aminoethoxy)-4-fluoro-2,3-dihydro-1H-inden-2-yl]methanol.

Molecular Properties

Compound Name[6-(2-aminoethoxy)-4-fluoro-2,3-dihydro-1H-inden-2-yl]methanol
PubChem CID156862749
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name[6-(2-aminoethoxy)-4-fluoro-2,3-dihydro-1H-inden-2-yl]methanol
SMILESNCCOc1cc(F)c2c(c1)CC(CO)C2
InChIInChI=1S/C12H16FNO2/c13-12-6-10(16-2-1-14)5-9-3-8(7-15)4-11(9)12/h5-6,8,15H,1-4,7,14H2
InChIKeyMXNSSBDAZLKQHY-UHFFFAOYSA-N
XLogP0.87
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-fluoro-6-(2-methylsulfonylethoxy)-2,3-dihydro-1H-inden-2-yl]methanol
CID 156862823
tert-butyl 3-[[7-fluoro-2-(hydroxymethyl)-2,3-dihydro-1H-inden-5-yl]oxy]azetidine-1-carboxylate
CID 156862333
(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)methanol
CID 23292331
2-(aminomethyl)-7-fluoro-2,3-dihydro-1H-inden-5-ol;hydrochloride
CID 155103862
[4-fluoro-6-(2-methoxyethoxymethoxy)-2,3-dihydro-1H-inden-2-yl]methylcarbamic acid
CID 155103425
2-(3,5-difluorophenoxy)ethanamine;hydrochloride
CID 66980622
(4-amino-7-fluoro-2,3-dihydro-1H-inden-2-yl)methanol
CID 156862716
methyl 4-(2-aminoethoxy)-2,6-difluorobenzoate;hydrochloride
CID 69214837
1-[3-acetyl-5-(2-aminoethoxy)phenyl]ethanone
CID 160658832
methyl 3-[(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 156861926
2-[(7-fluoro-2,3-dihydro-1H-isoindol-5-yl)oxy]-N,N-dimethylethanamine
CID 175827613
1-[(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)oxy]propan-2-ylcarbamic acid
CID 166759574

Frequently Asked Questions

What is the IUPAC name of [6-(2-aminoethoxy)-4-fluoro-2,3-dihydro-1H-inden-2-yl]methanol?
The IUPAC name of [6-(2-aminoethoxy)-4-fluoro-2,3-dihydro-1H-inden-2-yl]methanol (CID 156862749) is [6-(2-aminoethoxy)-4-fluoro-2,3-dihydro-1H-inden-2-yl]methanol.
What is the SMILES notation for [6-(2-aminoethoxy)-4-fluoro-2,3-dihydro-1H-inden-2-yl]methanol?
The canonical SMILES for [6-(2-aminoethoxy)-4-fluoro-2,3-dihydro-1H-inden-2-yl]methanol is NCCOc1cc(F)c2c(c1)CC(CO)C2.
What is the InChIKey of [6-(2-aminoethoxy)-4-fluoro-2,3-dihydro-1H-inden-2-yl]methanol?
The InChIKey is MXNSSBDAZLKQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c13-12-6-10(16-2-1-14)5-9-3-8(7-15)4-11(9)12/h5-6,8,15H,1-4,7,14H2.
What are the key properties of [6-(2-aminoethoxy)-4-fluoro-2,3-dihydro-1H-inden-2-yl]methanol?
[6-(2-aminoethoxy)-4-fluoro-2,3-dihydro-1H-inden-2-yl]methanol has a molecular weight of 225.26 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-aminoethoxy)-4-fluoro-2,3-dihydro-1H-inden-2-yl]methanol is sourced from PubChem (CID 156862749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).