2-ethyl-2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propane-1,3-diol

C14H20FNO2 — CID 103935768

IUPAC2-ethyl-2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propane-1,3-diol
SMILESCCC(CO)(CO)NC1CCc2cc(F)ccc21
InChIInChI=1S/C14H20FNO2/c1-2-14(8-17,9-18)16-13-6-3-10-7-11(15)4-5-12(10)13/h4-5,7,13,16-18H,2-3,6,8-9H2,1H3
InChIKeySQHWZXORXJLNNK-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.54
Rot. Bonds5

About 2-ethyl-2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propane-1,3-diol

2-ethyl-2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propane-1,3-diol (PubChem CID 103935768) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-ethyl-2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propane-1,3-diol.

Molecular Properties

Compound Name2-ethyl-2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propane-1,3-diol
PubChem CID103935768
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name2-ethyl-2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propane-1,3-diol
SMILESCCC(CO)(CO)NC1CCc2cc(F)ccc21
InChIInChI=1S/C14H20FNO2/c1-2-14(8-17,9-18)16-13-6-3-10-7-11(15)4-5-12(10)13/h4-5,7,13,16-18H,2-3,6,8-9H2,1H3
InChIKeySQHWZXORXJLNNK-UHFFFAOYSA-N
XLogP1.54
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

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Related Compounds

2-ethyl-2-[[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]methyl]butan-1-ol
CID 103904666
(2S)-2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 104980476
2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropan-1-ol
CID 105461969
5-fluoro-N-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1H-inden-1-amine
CID 116531106
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
N-[2-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]propanamide
CID 94212219
N-cyclooctyl-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116530769
N-(cyclohexylmethyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116530842
N-[1-(3-chlorophenyl)propyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 115667957
1-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-4,4-dimethylpentan-2-ol
CID 103784366
N-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116531042

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propane-1,3-diol?
The IUPAC name of 2-ethyl-2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propane-1,3-diol (CID 103935768) is 2-ethyl-2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propane-1,3-diol.
What is the SMILES notation for 2-ethyl-2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propane-1,3-diol?
The canonical SMILES for 2-ethyl-2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propane-1,3-diol is CCC(CO)(CO)NC1CCc2cc(F)ccc21.
What is the InChIKey of 2-ethyl-2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propane-1,3-diol?
The InChIKey is SQHWZXORXJLNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-2-14(8-17,9-18)16-13-6-3-10-7-11(15)4-5-12(10)13/h4-5,7,13,16-18H,2-3,6,8-9H2,1H3.
What are the key properties of 2-ethyl-2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propane-1,3-diol?
2-ethyl-2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propane-1,3-diol has a molecular weight of 253.32 g/mol, XLogP of 1.54, 5 rotatable bonds, 3 hydrogen bond donors, and 3 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]propane-1,3-diol is sourced from PubChem (CID 103935768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).