N-ethyl-2-(3-fluorophenyl)sulfanyl-1-(5-methyl-3-pyridinyl)ethanamine

C16H19FN2S — CID 115374715

IUPACN-ethyl-2-(3-fluorophenyl)sulfanyl-1-(5-methyl-3-pyridinyl)ethanamine
SMILESCCNC(CSc1cccc(F)c1)c1cncc(C)c1
InChIInChI=1S/C16H19FN2S/c1-3-19-16(13-7-12(2)9-18-10-13)11-20-15-6-4-5-14(17)8-15/h4-10,16,19H,3,11H2,1-2H3
InChIKeyHQIURRAPVWBKEH-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.97
Rot. Bonds6

About N-ethyl-2-(3-fluorophenyl)sulfanyl-1-(5-methyl-3-pyridinyl)ethanamine

N-ethyl-2-(3-fluorophenyl)sulfanyl-1-(5-methyl-3-pyridinyl)ethanamine (PubChem CID 115374715) has the molecular formula C16H19FN2S and a molecular weight of 290.41 g/mol. Its IUPAC name is N-ethyl-2-(3-fluorophenyl)sulfanyl-1-(5-methyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(3-fluorophenyl)sulfanyl-1-(5-methyl-3-pyridinyl)ethanamine
PubChem CID115374715
Molecular FormulaC16H19FN2S
Molecular Weight290.41 g/mol
Exact Mass290.13
IUPAC NameN-ethyl-2-(3-fluorophenyl)sulfanyl-1-(5-methyl-3-pyridinyl)ethanamine
SMILESCCNC(CSc1cccc(F)c1)c1cncc(C)c1
InChIInChI=1S/C16H19FN2S/c1-3-19-16(13-7-12(2)9-18-10-13)11-20-15-6-4-5-14(17)8-15/h4-10,16,19H,3,11H2,1-2H3
InChIKeyHQIURRAPVWBKEH-UHFFFAOYSA-N
XLogP3.97
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)sulfanyl-N-ethyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 115374735
N-ethyl-1-(3-fluorophenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 66086617
N-ethyl-1-(5-fluoro-3-pyridinyl)-2-phenylsulfanylethanamine
CID 65143289
N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 79697557
N-ethyl-2-(2-methylphenyl)sulfanyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 115374729
N-ethyl-2-(3-methylphenyl)sulfanyl-1-pyrimidin-5-ylethanamine
CID 66086234
N-ethyl-2-(3-methylphenyl)sulfanyl-1-pyridin-3-ylethanamine
CID 66086423
N-ethyl-2-ethylsulfanyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 115374602
N-ethyl-2-(3-fluorophenyl)sulfanyl-1-(furan-2-yl)ethanamine
CID 66073333
N-ethyl-1-(3-methylphenyl)-2-phenylsulfanylethanamine
CID 64619202
1-(3-bromofuran-2-yl)-N-ethyl-2-(3-fluorophenyl)sulfanylethanamine
CID 66072502
N-ethyl-1-(3-fluorophenyl)sulfanyl-3-methylpentan-2-amine
CID 79445793

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-fluorophenyl)sulfanyl-1-(5-methyl-3-pyridinyl)ethanamine?
The IUPAC name of N-ethyl-2-(3-fluorophenyl)sulfanyl-1-(5-methyl-3-pyridinyl)ethanamine (CID 115374715) is N-ethyl-2-(3-fluorophenyl)sulfanyl-1-(5-methyl-3-pyridinyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(3-fluorophenyl)sulfanyl-1-(5-methyl-3-pyridinyl)ethanamine?
The canonical SMILES for N-ethyl-2-(3-fluorophenyl)sulfanyl-1-(5-methyl-3-pyridinyl)ethanamine is CCNC(CSc1cccc(F)c1)c1cncc(C)c1.
What is the InChIKey of N-ethyl-2-(3-fluorophenyl)sulfanyl-1-(5-methyl-3-pyridinyl)ethanamine?
The InChIKey is HQIURRAPVWBKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2S/c1-3-19-16(13-7-12(2)9-18-10-13)11-20-15-6-4-5-14(17)8-15/h4-10,16,19H,3,11H2,1-2H3.
What are the key properties of N-ethyl-2-(3-fluorophenyl)sulfanyl-1-(5-methyl-3-pyridinyl)ethanamine?
N-ethyl-2-(3-fluorophenyl)sulfanyl-1-(5-methyl-3-pyridinyl)ethanamine has a molecular weight of 290.41 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-fluorophenyl)sulfanyl-1-(5-methyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 115374715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).