2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-4-ethoxy-5-fluoroaniline

C17H18FNOS — CID 63593075

IUPAC2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-4-ethoxy-5-fluoroaniline
SMILESCCOc1cc(Sc2ccc3c(c2)CCC3)c(N)cc1F
InChIInChI=1S/C17H18FNOS/c1-2-20-16-10-17(15(19)9-14(16)18)21-13-7-6-11-4-3-5-12(11)8-13/h6-10H,2-5,19H2,1H3
InChIKeySJJXWFCGSOFSNA-UHFFFAOYSA-N
MW303.40 g/mol
LogP4.45
Rot. Bonds4

About 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-4-ethoxy-5-fluoroaniline

2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-4-ethoxy-5-fluoroaniline (PubChem CID 63593075) has the molecular formula C17H18FNOS and a molecular weight of 303.40 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-4-ethoxy-5-fluoroaniline.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-4-ethoxy-5-fluoroaniline
PubChem CID63593075
Molecular FormulaC17H18FNOS
Molecular Weight303.40 g/mol
Exact Mass303.11
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-4-ethoxy-5-fluoroaniline
SMILESCCOc1cc(Sc2ccc3c(c2)CCC3)c(N)cc1F
InChIInChI=1S/C17H18FNOS/c1-2-20-16-10-17(15(19)9-14(16)18)21-13-7-6-11-4-3-5-12(11)8-13/h6-10H,2-5,19H2,1H3
InChIKeySJJXWFCGSOFSNA-UHFFFAOYSA-N
XLogP4.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-difluorophenyl)sulfanyl-4-ethoxy-5-fluoroaniline
CID 63593255
4-ethoxy-2-ethylsulfanyl-5-fluoroaniline
CID 63592722
2-(2-amino-5-ethoxy-4-fluorophenyl)sulfanylpyrimidine-4,6-diamine
CID 63594148
2-(2-bromophenyl)sulfanyl-4-ethoxy-5-fluoroaniline
CID 55217243
2-(4-bromophenyl)sulfanyl-5-fluoro-4-propoxyaniline
CID 63592470
4-bromo-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)aniline
CID 65342711
4-(2,4-difluorophenyl)sulfanyl-2-ethoxyaniline
CID 63675968
4-ethoxy-5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline
CID 63594501
5-fluoro-2-(4-fluorophenyl)sulfanyl-4-methoxyaniline
CID 63597738
2-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-fluorophenyl]ethanamine
CID 63820160
5-(2-amino-5-ethoxy-4-fluorophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63737456
2-amino-6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-3-fluorobenzoic acid
CID 83207426

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-4-ethoxy-5-fluoroaniline?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-4-ethoxy-5-fluoroaniline (CID 63593075) is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-4-ethoxy-5-fluoroaniline.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-4-ethoxy-5-fluoroaniline?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-4-ethoxy-5-fluoroaniline is CCOc1cc(Sc2ccc3c(c2)CCC3)c(N)cc1F.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-4-ethoxy-5-fluoroaniline?
The InChIKey is SJJXWFCGSOFSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNOS/c1-2-20-16-10-17(15(19)9-14(16)18)21-13-7-6-11-4-3-5-12(11)8-13/h6-10H,2-5,19H2,1H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-4-ethoxy-5-fluoroaniline?
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-4-ethoxy-5-fluoroaniline has a molecular weight of 303.40 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-4-ethoxy-5-fluoroaniline is sourced from PubChem (CID 63593075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).