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

C14H20FNOS — CID 103785152

IUPAC3-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylsulfanylbutan-1-ol
SMILESCSC(CO)C(C)NC1CCc2c(F)cccc21
InChIInChI=1S/C14H20FNOS/c1-9(14(8-17)18-2)16-13-7-6-10-11(13)4-3-5-12(10)15/h3-5,9,13-14,16-17H,6-8H2,1-2H3
InChIKeyUBUPBERKPAFVFQ-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.52
Rot. Bonds5

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

3-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylsulfanylbutan-1-ol (PubChem CID 103785152) has the molecular formula C14H20FNOS and a molecular weight of 269.38 g/mol. Its IUPAC name is 3-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name3-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylsulfanylbutan-1-ol
PubChem CID103785152
Molecular FormulaC14H20FNOS
Molecular Weight269.38 g/mol
Exact Mass269.12
IUPAC Name3-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylsulfanylbutan-1-ol
SMILESCSC(CO)C(C)NC1CCc2c(F)cccc21
InChIInChI=1S/C14H20FNOS/c1-9(14(8-17)18-2)16-13-7-6-10-11(13)4-3-5-12(10)15/h3-5,9,13-14,16-17H,6-8H2,1-2H3
InChIKeyUBUPBERKPAFVFQ-UHFFFAOYSA-N
XLogP2.52
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
CID 114987002
4-fluoro-N-(3-methylpentan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 79492992
4-fluoro-N-[1-(2-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 78956060
(2S)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylethanol
CID 103784055
4-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 83067010
N-[1-(2,4-difluorophenyl)ethyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 78956202
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 83066315
3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-2-methylsulfanylbutan-1-ol
CID 103785190
N-[(1R)-1-cyclopentylethyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 83065507
2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylpropanamide
CID 81327848
1-[1-(2,6-difluorophenyl)ethylamino]-2,3-dihydro-1H-inden-4-ol
CID 60945188
4-fluoro-N-(1-methoxy-3-methylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 79490334

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylsulfanylbutan-1-ol?
The IUPAC name of 3-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylsulfanylbutan-1-ol (CID 103785152) is 3-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylsulfanylbutan-1-ol.
What is the SMILES notation for 3-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylsulfanylbutan-1-ol?
The canonical SMILES for 3-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylsulfanylbutan-1-ol is CSC(CO)C(C)NC1CCc2c(F)cccc21.
What is the InChIKey of 3-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylsulfanylbutan-1-ol?
The InChIKey is UBUPBERKPAFVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNOS/c1-9(14(8-17)18-2)16-13-7-6-10-11(13)4-3-5-12(10)15/h3-5,9,13-14,16-17H,6-8H2,1-2H3.
What are the key properties of 3-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylsulfanylbutan-1-ol?
3-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylsulfanylbutan-1-ol has a molecular weight of 269.38 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylsulfanylbutan-1-ol is sourced from PubChem (CID 103785152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).