4-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1-methoxybutan-2-ol

C14H20FNO2 — CID 103906153

IUPAC4-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1-methoxybutan-2-ol
SMILESCOCC(O)CCNC1CCc2cc(F)ccc21
InChIInChI=1S/C14H20FNO2/c1-18-9-12(17)6-7-16-14-5-2-10-8-11(15)3-4-13(10)14/h3-4,8,12,14,16-17H,2,5-7,9H2,1H3
InChIKeyNFTKOMFRADVTGA-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.80
Rot. Bonds6

About 4-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1-methoxybutan-2-ol

4-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1-methoxybutan-2-ol (PubChem CID 103906153) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 4-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1-methoxybutan-2-ol.

Molecular Properties

Compound Name4-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1-methoxybutan-2-ol
PubChem CID103906153
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name4-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1-methoxybutan-2-ol
SMILESCOCC(O)CCNC1CCc2cc(F)ccc21
InChIInChI=1S/C14H20FNO2/c1-18-9-12(17)6-7-16-14-5-2-10-8-11(15)3-4-13(10)14/h3-4,8,12,14,16-17H,2,5-7,9H2,1H3
InChIKeyNFTKOMFRADVTGA-UHFFFAOYSA-N
XLogP1.80
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1-methoxybutan-2-ol?
The IUPAC name of 4-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1-methoxybutan-2-ol (CID 103906153) is 4-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1-methoxybutan-2-ol.
What is the SMILES notation for 4-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1-methoxybutan-2-ol?
The canonical SMILES for 4-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1-methoxybutan-2-ol is COCC(O)CCNC1CCc2cc(F)ccc21.
What is the InChIKey of 4-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1-methoxybutan-2-ol?
The InChIKey is NFTKOMFRADVTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-18-9-12(17)6-7-16-14-5-2-10-8-11(15)3-4-13(10)14/h3-4,8,12,14,16-17H,2,5-7,9H2,1H3.
What are the key properties of 4-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1-methoxybutan-2-ol?
4-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1-methoxybutan-2-ol has a molecular weight of 253.32 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1-methoxybutan-2-ol is sourced from PubChem (CID 103906153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).