N-ethyl-1-[5-[(3-methylphenyl)methylsulfanyl]-2-pyridinyl]ethanamine

C17H22N2S — CID 83123426

IUPACN-ethyl-1-[5-[(3-methylphenyl)methylsulfanyl]-2-pyridinyl]ethanamine
SMILESCCNC(C)c1ccc(SCc2cccc(C)c2)cn1
InChIInChI=1S/C17H22N2S/c1-4-18-14(3)17-9-8-16(11-19-17)20-12-15-7-5-6-13(2)10-15/h5-11,14,18H,4,12H2,1-3H3
InChIKeyQUCXPMDYIUKBTI-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.35
Rot. Bonds6

About N-ethyl-1-[5-[(3-methylphenyl)methylsulfanyl]-2-pyridinyl]ethanamine

N-ethyl-1-[5-[(3-methylphenyl)methylsulfanyl]-2-pyridinyl]ethanamine (PubChem CID 83123426) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is N-ethyl-1-[5-[(3-methylphenyl)methylsulfanyl]-2-pyridinyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[5-[(3-methylphenyl)methylsulfanyl]-2-pyridinyl]ethanamine
PubChem CID83123426
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC NameN-ethyl-1-[5-[(3-methylphenyl)methylsulfanyl]-2-pyridinyl]ethanamine
SMILESCCNC(C)c1ccc(SCc2cccc(C)c2)cn1
InChIInChI=1S/C17H22N2S/c1-4-18-14(3)17-9-8-16(11-19-17)20-12-15-7-5-6-13(2)10-15/h5-11,14,18H,4,12H2,1-3H3
InChIKeyQUCXPMDYIUKBTI-UHFFFAOYSA-N
XLogP4.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[5-[(3-methylphenyl)methylsulfanyl]-2-pyridinyl]propan-1-ol
CID 103939422
1-[5-[(3-methylphenyl)methylsulfanyl]-2-pyridinyl]propan-1-amine
CID 112585115
1-[5-[(4-chlorophenyl)methylsulfanyl]-2-pyridinyl]-N-ethylethanamine
CID 114790588
N-methyl-1-[4-[(3-methylphenyl)methylsulfanyl]phenyl]ethanamine
CID 55112738
(1S)-1-[5-[(3,5-dimethylphenyl)methylsulfanyl]-2-pyridinyl]ethanol
CID 83129531
(1S)-1-[5-[(3,5-dimethylphenyl)methylsulfanyl]-2-pyridinyl]ethanamine
CID 83123831
1-[5-[(3-methylphenyl)methylsulfanyl]-2-pyridinyl]ethanone
CID 83120077
1-[5-(2-bromophenyl)sulfanyl-2-pyridinyl]-N-ethylethanamine
CID 83124054
N-ethyl-1-[2-[(3-methylphenyl)methyl]-1H-imidazol-5-yl]ethanamine
CID 114265720
methyl 3-[[6-[1-(ethylamino)ethyl]-3-pyridinyl]sulfanyl]propanoate
CID 83123259
(1S)-1-(5-benzylsulfanyl-2-pyridinyl)propan-1-ol
CID 113355448
N-methyl-1-[5-[(2-methylphenyl)methylsulfanyl]-2-pyridinyl]ethanamine
CID 83124395

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-[(3-methylphenyl)methylsulfanyl]-2-pyridinyl]ethanamine?
The IUPAC name of N-ethyl-1-[5-[(3-methylphenyl)methylsulfanyl]-2-pyridinyl]ethanamine (CID 83123426) is N-ethyl-1-[5-[(3-methylphenyl)methylsulfanyl]-2-pyridinyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[5-[(3-methylphenyl)methylsulfanyl]-2-pyridinyl]ethanamine?
The canonical SMILES for N-ethyl-1-[5-[(3-methylphenyl)methylsulfanyl]-2-pyridinyl]ethanamine is CCNC(C)c1ccc(SCc2cccc(C)c2)cn1.
What is the InChIKey of N-ethyl-1-[5-[(3-methylphenyl)methylsulfanyl]-2-pyridinyl]ethanamine?
The InChIKey is QUCXPMDYIUKBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-4-18-14(3)17-9-8-16(11-19-17)20-12-15-7-5-6-13(2)10-15/h5-11,14,18H,4,12H2,1-3H3.
What are the key properties of N-ethyl-1-[5-[(3-methylphenyl)methylsulfanyl]-2-pyridinyl]ethanamine?
N-ethyl-1-[5-[(3-methylphenyl)methylsulfanyl]-2-pyridinyl]ethanamine has a molecular weight of 286.44 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-[(3-methylphenyl)methylsulfanyl]-2-pyridinyl]ethanamine is sourced from PubChem (CID 83123426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).