2-ethylsulfanyl-N-[1-(4-fluorophenyl)propyl]aniline

C17H20FNS — CID 63453355

IUPAC2-ethylsulfanyl-N-[1-(4-fluorophenyl)propyl]aniline
SMILESCCSc1ccccc1NC(CC)c1ccc(F)cc1
InChIInChI=1S/C17H20FNS/c1-3-15(13-9-11-14(18)12-10-13)19-16-7-5-6-8-17(16)20-4-2/h5-12,15,19H,3-4H2,1-2H3
InChIKeyPUPNLQIUCNHCFX-UHFFFAOYSA-N
MW289.42 g/mol
LogP5.50
Rot. Bonds6

About 2-ethylsulfanyl-N-[1-(4-fluorophenyl)propyl]aniline

2-ethylsulfanyl-N-[1-(4-fluorophenyl)propyl]aniline (PubChem CID 63453355) has the molecular formula C17H20FNS and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-[1-(4-fluorophenyl)propyl]aniline.

Molecular Properties

Compound Name2-ethylsulfanyl-N-[1-(4-fluorophenyl)propyl]aniline
PubChem CID63453355
Molecular FormulaC17H20FNS
Molecular Weight289.42 g/mol
Exact Mass289.13
IUPAC Name2-ethylsulfanyl-N-[1-(4-fluorophenyl)propyl]aniline
SMILESCCSc1ccccc1NC(CC)c1ccc(F)cc1
InChIInChI=1S/C17H20FNS/c1-3-15(13-9-11-14(18)12-10-13)19-16-7-5-6-8-17(16)20-4-2/h5-12,15,19H,3-4H2,1-2H3
InChIKeyPUPNLQIUCNHCFX-UHFFFAOYSA-N
XLogP5.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.42
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-fluorophenyl)propyl]-2-prop-2-enylsulfanylaniline
CID 63449265
N-[1-(4-fluorophenyl)propyl]-2-methylaniline
CID 43106862
2-ethylsulfanyl-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
CID 115938659
3-fluoro-N-[1-(4-fluorophenyl)propyl]-2-methylaniline
CID 55194278
2,4-difluoro-N-[1-(4-fluorophenyl)propyl]aniline
CID 43095155
1-(2-ethylsulfanylphenyl)-3-(4-fluorophenyl)thiourea
CID 100641051
N-[1-(4-fluorophenyl)ethyl]-2-methylsulfanylaniline
CID 43225069
2,6-dibromo-N-[1-(4-fluorophenyl)propyl]aniline
CID 107597224
1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 43185194
5-chloro-2-fluoro-N-(1-phenylpropyl)aniline
CID 43381923
2-chloro-N-[1-(4-fluorophenyl)propyl]-4-methylaniline
CID 43122613
N-[1-(4-fluorophenyl)propyl]-3-methylpentan-2-amine
CID 54949998

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-[1-(4-fluorophenyl)propyl]aniline?
The IUPAC name of 2-ethylsulfanyl-N-[1-(4-fluorophenyl)propyl]aniline (CID 63453355) is 2-ethylsulfanyl-N-[1-(4-fluorophenyl)propyl]aniline.
What is the SMILES notation for 2-ethylsulfanyl-N-[1-(4-fluorophenyl)propyl]aniline?
The canonical SMILES for 2-ethylsulfanyl-N-[1-(4-fluorophenyl)propyl]aniline is CCSc1ccccc1NC(CC)c1ccc(F)cc1.
What is the InChIKey of 2-ethylsulfanyl-N-[1-(4-fluorophenyl)propyl]aniline?
The InChIKey is PUPNLQIUCNHCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNS/c1-3-15(13-9-11-14(18)12-10-13)19-16-7-5-6-8-17(16)20-4-2/h5-12,15,19H,3-4H2,1-2H3.
What are the key properties of 2-ethylsulfanyl-N-[1-(4-fluorophenyl)propyl]aniline?
2-ethylsulfanyl-N-[1-(4-fluorophenyl)propyl]aniline has a molecular weight of 289.42 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-[1-(4-fluorophenyl)propyl]aniline is sourced from PubChem (CID 63453355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).