N-(4-ethylsulfanylbutan-2-yl)-5-fluoro-2,3-dihydro-1H-inden-1-amine

C15H22FNS — CID 115725424

IUPACN-(4-ethylsulfanylbutan-2-yl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESCCSCCC(C)NC1CCc2cc(F)ccc21
InChIInChI=1S/C15H22FNS/c1-3-18-9-8-11(2)17-15-7-4-12-10-13(16)5-6-14(12)15/h5-6,10-11,15,17H,3-4,7-9H2,1-2H3
InChIKeyFNUNUEBPWZGWNT-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.93
Rot. Bonds6

About N-(4-ethylsulfanylbutan-2-yl)-5-fluoro-2,3-dihydro-1H-inden-1-amine

N-(4-ethylsulfanylbutan-2-yl)-5-fluoro-2,3-dihydro-1H-inden-1-amine (PubChem CID 115725424) has the molecular formula C15H22FNS and a molecular weight of 267.41 g/mol. Its IUPAC name is N-(4-ethylsulfanylbutan-2-yl)-5-fluoro-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-(4-ethylsulfanylbutan-2-yl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
PubChem CID115725424
Molecular FormulaC15H22FNS
Molecular Weight267.41 g/mol
Exact Mass267.15
IUPAC NameN-(4-ethylsulfanylbutan-2-yl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESCCSCCC(C)NC1CCc2cc(F)ccc21
InChIInChI=1S/C15H22FNS/c1-3-18-9-8-11(2)17-15-7-4-12-10-13(16)5-6-14(12)15/h5-6,10-11,15,17H,3-4,7-9H2,1-2H3
InChIKeyFNUNUEBPWZGWNT-UHFFFAOYSA-N
XLogP3.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-N-pent-4-en-2-yl-2,3-dihydro-1H-inden-1-amine
CID 115890485
5-fluoro-N-(1-methylsulfonylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 115889805
(2S)-2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 104980476
5-fluoro-N-(1-phenylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 115623709
3-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 81338301
5-fluoro-N-[1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 115710200
N-[1-(3-chlorophenyl)propyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 115667957
5-fluoro-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-inden-1-amine
CID 115706133
5-fluoro-N-[1-(oxan-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 103779432
2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-4-methylpentanoic acid
CID 116530988
5-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 103905296
N-butan-2-yl-5-methyl-2,3-dihydro-1H-inden-1-amine
CID 115705716

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylsulfanylbutan-2-yl)-5-fluoro-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-(4-ethylsulfanylbutan-2-yl)-5-fluoro-2,3-dihydro-1H-inden-1-amine (CID 115725424) is N-(4-ethylsulfanylbutan-2-yl)-5-fluoro-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-(4-ethylsulfanylbutan-2-yl)-5-fluoro-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-(4-ethylsulfanylbutan-2-yl)-5-fluoro-2,3-dihydro-1H-inden-1-amine is CCSCCC(C)NC1CCc2cc(F)ccc21.
What is the InChIKey of N-(4-ethylsulfanylbutan-2-yl)-5-fluoro-2,3-dihydro-1H-inden-1-amine?
The InChIKey is FNUNUEBPWZGWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNS/c1-3-18-9-8-11(2)17-15-7-4-12-10-13(16)5-6-14(12)15/h5-6,10-11,15,17H,3-4,7-9H2,1-2H3.
What are the key properties of N-(4-ethylsulfanylbutan-2-yl)-5-fluoro-2,3-dihydro-1H-inden-1-amine?
N-(4-ethylsulfanylbutan-2-yl)-5-fluoro-2,3-dihydro-1H-inden-1-amine has a molecular weight of 267.41 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylsulfanylbutan-2-yl)-5-fluoro-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 115725424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).