2-ethyl-2-[[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]methyl]butan-1-ol

C16H24FNO — CID 103904666

IUPAC2-ethyl-2-[[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNC1CCc2cc(F)ccc21
InChIInChI=1S/C16H24FNO/c1-3-16(4-2,11-19)10-18-15-8-5-12-9-13(17)6-7-14(12)15/h6-7,9,15,18-19H,3-5,8,10-11H2,1-2H3
InChIKeyYRJYLYAWFJKZRS-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.20
Rot. Bonds6

About 2-ethyl-2-[[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]methyl]butan-1-ol

2-ethyl-2-[[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]methyl]butan-1-ol (PubChem CID 103904666) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 2-ethyl-2-[[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]methyl]butan-1-ol
PubChem CID103904666
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name2-ethyl-2-[[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNC1CCc2cc(F)ccc21
InChIInChI=1S/C16H24FNO/c1-3-16(4-2,11-19)10-18-15-8-5-12-9-13(17)6-7-14(12)15/h6-7,9,15,18-19H,3-5,8,10-11H2,1-2H3
InChIKeyYRJYLYAWFJKZRS-UHFFFAOYSA-N
XLogP3.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-2-[[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]methyl]butan-1-ol with MolForge

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Related Compounds

2-ethyl-2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propane-1,3-diol
CID 103935768
5-fluoro-N-(2-methyl-2-phenylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 116530970
5-fluoro-N-(4-methoxy-2,2-dimethylbutyl)-2,3-dihydro-1H-inden-1-amine
CID 104628801
(2S)-2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 104980476
5-fluoro-N-octyl-2,3-dihydro-1H-inden-1-amine
CID 116531093
5-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pentan-1-ol
CID 107303158
1-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-4,4-dimethylpentan-2-ol
CID 103784366
5-fluoro-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-inden-1-amine
CID 115706133
N-ethyl-3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanamide
CID 116531134
1-[(2-ethyl-2-hydroxybutyl)amino]-2,3-dihydro-1H-inden-5-ol
CID 107682417
methyl 3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoate
CID 116530837
2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropan-1-ol
CID 105461969

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]methyl]butan-1-ol (CID 103904666) is 2-ethyl-2-[[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]methyl]butan-1-ol is CCC(CC)(CO)CNC1CCc2cc(F)ccc21.
What is the InChIKey of 2-ethyl-2-[[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]methyl]butan-1-ol?
The InChIKey is YRJYLYAWFJKZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-3-16(4-2,11-19)10-18-15-8-5-12-9-13(17)6-7-14(12)15/h6-7,9,15,18-19H,3-5,8,10-11H2,1-2H3.
What are the key properties of 2-ethyl-2-[[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]methyl]butan-1-ol?
2-ethyl-2-[[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]methyl]butan-1-ol has a molecular weight of 265.37 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]methyl]butan-1-ol is sourced from PubChem (CID 103904666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).