1-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropan-2-ol

C13H18FNO — CID 78927319

IUPAC1-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNC1CCc2c(F)cccc21
InChIInChI=1S/C13H18FNO/c1-13(2,16)8-15-12-7-6-9-10(12)4-3-5-11(9)14/h3-5,12,15-16H,6-8H2,1-2H3
InChIKeyBBWCDJPPLKZQTF-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.17
Rot. Bonds3

About 1-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropan-2-ol

1-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropan-2-ol (PubChem CID 78927319) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 1-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropan-2-ol
PubChem CID78927319
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name1-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNC1CCc2c(F)cccc21
InChIInChI=1S/C13H18FNO/c1-13(2,16)8-15-12-7-6-9-10(12)4-3-5-11(9)14/h3-5,12,15-16H,6-8H2,1-2H3
InChIKeyBBWCDJPPLKZQTF-UHFFFAOYSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropan-2-ol (CID 78927319) is 1-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropan-2-ol is CC(C)(O)CNC1CCc2c(F)cccc21.
What is the InChIKey of 1-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropan-2-ol?
The InChIKey is BBWCDJPPLKZQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-13(2,16)8-15-12-7-6-9-10(12)4-3-5-11(9)14/h3-5,12,15-16H,6-8H2,1-2H3.
What are the key properties of 1-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropan-2-ol?
1-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropan-2-ol has a molecular weight of 223.29 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropan-2-ol is sourced from PubChem (CID 78927319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).