N-ethyl-1-(4-fluorophenyl)-2-propylsulfanylethanamine

C13H20FNS — CID 65128632

IUPACN-ethyl-1-(4-fluorophenyl)-2-propylsulfanylethanamine
SMILESCCCSCC(NCC)c1ccc(F)cc1
InChIInChI=1S/C13H20FNS/c1-3-9-16-10-13(15-4-2)11-5-7-12(14)8-6-11/h5-8,13,15H,3-4,9-10H2,1-2H3
InChIKeyCEQROYAMKZSFLG-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.62
Rot. Bonds7

About N-ethyl-1-(4-fluorophenyl)-2-propylsulfanylethanamine

N-ethyl-1-(4-fluorophenyl)-2-propylsulfanylethanamine (PubChem CID 65128632) has the molecular formula C13H20FNS and a molecular weight of 241.37 g/mol. Its IUPAC name is N-ethyl-1-(4-fluorophenyl)-2-propylsulfanylethanamine.

Molecular Properties

Compound NameN-ethyl-1-(4-fluorophenyl)-2-propylsulfanylethanamine
PubChem CID65128632
Molecular FormulaC13H20FNS
Molecular Weight241.37 g/mol
Exact Mass241.13
IUPAC NameN-ethyl-1-(4-fluorophenyl)-2-propylsulfanylethanamine
SMILESCCCSCC(NCC)c1ccc(F)cc1
InChIInChI=1S/C13H20FNS/c1-3-9-16-10-13(15-4-2)11-5-7-12(14)8-6-11/h5-8,13,15H,3-4,9-10H2,1-2H3
InChIKeyCEQROYAMKZSFLG-UHFFFAOYSA-N
XLogP3.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.62
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

N-ethyl-1-(4-phenylphenyl)-2-propylsulfanylethanamine
CID 64614907
1-(4-fluorophenyl)-2-propylsulfanylethanamine
CID 65128851
N-[1-(4-methylphenyl)-2-propylsulfanylethyl]propan-1-amine
CID 64614922
N-ethyl-1-(3-propylphenyl)-2-propylsulfanylethanamine
CID 116544428
N-ethyl-3,3,3-trifluoro-1-(4-fluorophenyl)propan-1-amine
CID 43488899
3-[2-(ethylamino)-2-(4-methylphenyl)ethyl]sulfanylpropan-1-ol
CID 66127937
N-[1-(4-ethoxyphenyl)-2-propylsulfanylethyl]propan-1-amine
CID 64615746
2-(3-bromophenyl)sulfanyl-N-ethyl-1-(4-fluorophenyl)ethanamine
CID 66158848
N-ethyl-2-(2-methylpropylsulfanyl)-1-(4-propylphenyl)ethanamine
CID 64611527
2-butylsulfanyl-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 64611504
N-ethyl-2-ethylsulfanyl-1-phenylethanamine
CID 64613608
N-[1-(5-fluoro-2-methylphenyl)-2-propylsulfanylethyl]propan-1-amine
CID 65128468

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-fluorophenyl)-2-propylsulfanylethanamine?
The IUPAC name of N-ethyl-1-(4-fluorophenyl)-2-propylsulfanylethanamine (CID 65128632) is N-ethyl-1-(4-fluorophenyl)-2-propylsulfanylethanamine.
What is the SMILES notation for N-ethyl-1-(4-fluorophenyl)-2-propylsulfanylethanamine?
The canonical SMILES for N-ethyl-1-(4-fluorophenyl)-2-propylsulfanylethanamine is CCCSCC(NCC)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-1-(4-fluorophenyl)-2-propylsulfanylethanamine?
The InChIKey is CEQROYAMKZSFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNS/c1-3-9-16-10-13(15-4-2)11-5-7-12(14)8-6-11/h5-8,13,15H,3-4,9-10H2,1-2H3.
What are the key properties of N-ethyl-1-(4-fluorophenyl)-2-propylsulfanylethanamine?
N-ethyl-1-(4-fluorophenyl)-2-propylsulfanylethanamine has a molecular weight of 241.37 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-fluorophenyl)-2-propylsulfanylethanamine is sourced from PubChem (CID 65128632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).