N-ethyl-1-(2-fluorophenyl)sulfanylpent-4-en-2-amine

C13H18FNS — CID 66051551

IUPACN-ethyl-1-(2-fluorophenyl)sulfanylpent-4-en-2-amine
SMILESC=CCC(CSc1ccccc1F)NCC
InChIInChI=1S/C13H18FNS/c1-3-7-11(15-4-2)10-16-13-9-6-5-8-12(13)14/h3,5-6,8-9,11,15H,1,4,7,10H2,2H3
InChIKeyUTKPFQQKYVSCSH-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.47
Rot. Bonds7

About N-ethyl-1-(2-fluorophenyl)sulfanylpent-4-en-2-amine

N-ethyl-1-(2-fluorophenyl)sulfanylpent-4-en-2-amine (PubChem CID 66051551) has the molecular formula C13H18FNS and a molecular weight of 239.36 g/mol. Its IUPAC name is N-ethyl-1-(2-fluorophenyl)sulfanylpent-4-en-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-fluorophenyl)sulfanylpent-4-en-2-amine
PubChem CID66051551
Molecular FormulaC13H18FNS
Molecular Weight239.36 g/mol
Exact Mass239.11
IUPAC NameN-ethyl-1-(2-fluorophenyl)sulfanylpent-4-en-2-amine
SMILESC=CCC(CSc1ccccc1F)NCC
InChIInChI=1S/C13H18FNS/c1-3-7-11(15-4-2)10-16-13-9-6-5-8-12(13)14/h3,5-6,8-9,11,15H,1,4,7,10H2,2H3
InChIKeyUTKPFQQKYVSCSH-UHFFFAOYSA-N
XLogP3.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(2-methylphenyl)sulfanylpent-4-en-2-amine
CID 66096345
N-ethyl-1-(2-fluorophenyl)sulfanyl-3-propan-2-yloxypropan-2-amine
CID 79575022
N-ethyl-1-(2-fluorophenyl)sulfanylnonan-2-amine
CID 66051552
N-ethyl-1-(2-fluorophenyl)sulfanyl-6-methylheptan-2-amine
CID 83161475
1-(2-fluorophenyl)sulfanyl-N-methylhept-6-en-2-amine
CID 66054051
N-ethyl-1-(2-fluorophenyl)sulfanyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82877543
1-(2-fluorophenyl)sulfanyl-N-methylbut-3-en-2-amine
CID 66053663
N-ethyl-1-(2-fluorophenyl)sulfanyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine
CID 66053104
1-(2-bromo-3-fluorophenyl)-N-ethylpent-4-en-2-amine
CID 116660745
[3-ethyl-1-(2-fluorophenyl)sulfanylpentan-2-yl]hydrazine
CID 105236088
1-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 64621833
1-(3-bromo-2-fluorophenyl)-N-ethyl-2-(2-fluorophenyl)sulfanylethanamine
CID 106645738

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-fluorophenyl)sulfanylpent-4-en-2-amine?
The IUPAC name of N-ethyl-1-(2-fluorophenyl)sulfanylpent-4-en-2-amine (CID 66051551) is N-ethyl-1-(2-fluorophenyl)sulfanylpent-4-en-2-amine.
What is the SMILES notation for N-ethyl-1-(2-fluorophenyl)sulfanylpent-4-en-2-amine?
The canonical SMILES for N-ethyl-1-(2-fluorophenyl)sulfanylpent-4-en-2-amine is C=CCC(CSc1ccccc1F)NCC.
What is the InChIKey of N-ethyl-1-(2-fluorophenyl)sulfanylpent-4-en-2-amine?
The InChIKey is UTKPFQQKYVSCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNS/c1-3-7-11(15-4-2)10-16-13-9-6-5-8-12(13)14/h3,5-6,8-9,11,15H,1,4,7,10H2,2H3.
What are the key properties of N-ethyl-1-(2-fluorophenyl)sulfanylpent-4-en-2-amine?
N-ethyl-1-(2-fluorophenyl)sulfanylpent-4-en-2-amine has a molecular weight of 239.36 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-fluorophenyl)sulfanylpent-4-en-2-amine is sourced from PubChem (CID 66051551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).