N-ethyl-1-[3-(2-pyridin-3-ylethylsulfanyl)phenyl]ethanamine

C17H22N2S — CID 64664651

IUPACN-ethyl-1-[3-(2-pyridin-3-ylethylsulfanyl)phenyl]ethanamine
SMILESCCNC(C)c1cccc(SCCc2cccnc2)c1
InChIInChI=1S/C17H22N2S/c1-3-19-14(2)16-7-4-8-17(12-16)20-11-9-15-6-5-10-18-13-15/h4-8,10,12-14,19H,3,9,11H2,1-2H3
InChIKeyYDSUKYCIORUFKJ-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.09
Rot. Bonds7

About N-ethyl-1-[3-(2-pyridin-3-ylethylsulfanyl)phenyl]ethanamine

N-ethyl-1-[3-(2-pyridin-3-ylethylsulfanyl)phenyl]ethanamine (PubChem CID 64664651) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is N-ethyl-1-[3-(2-pyridin-3-ylethylsulfanyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[3-(2-pyridin-3-ylethylsulfanyl)phenyl]ethanamine
PubChem CID64664651
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC NameN-ethyl-1-[3-(2-pyridin-3-ylethylsulfanyl)phenyl]ethanamine
SMILESCCNC(C)c1cccc(SCCc2cccnc2)c1
InChIInChI=1S/C17H22N2S/c1-3-19-14(2)16-7-4-8-17(12-16)20-11-9-15-6-5-10-18-13-15/h4-8,10,12-14,19H,3,9,11H2,1-2H3
InChIKeyYDSUKYCIORUFKJ-UHFFFAOYSA-N
XLogP4.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-[3-(2-phenylsulfanylethylsulfanyl)phenyl]ethanamine
CID 79205935
(1R)-1-(3-bromophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 81382701
N-ethyl-1-(3-ethylphenyl)-3-pyridin-3-ylpropan-1-amine
CID 105171233
N-ethyl-1-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]phenyl]ethanamine
CID 64666328
6-[3-[1-(ethylamino)ethyl]phenyl]sulfanylhexan-1-ol
CID 107707219
5-[3-[1-(ethylamino)ethyl]phenyl]sulfanylpentan-1-ol
CID 64665070
N-ethyl-1-[3-(2-methylpropyl)phenyl]-2-pyridin-3-ylethanamine
CID 116544214
N-ethyl-1-[3-(1,3-thiazol-5-ylmethylsulfanyl)phenyl]ethanamine
CID 112644505
N-ethyl-1-[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]ethanamine
CID 43279469
1-[3-(2-bromoprop-2-enylsulfanyl)phenyl]-N-ethylethanamine
CID 64663802
1-[3-[(3,4-dichlorophenyl)methylsulfanyl]phenyl]-N-ethylethanamine
CID 64666107
[3-[1-(ethylamino)ethyl]phenyl]methanol
CID 115776701

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[3-(2-pyridin-3-ylethylsulfanyl)phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[3-(2-pyridin-3-ylethylsulfanyl)phenyl]ethanamine (CID 64664651) is N-ethyl-1-[3-(2-pyridin-3-ylethylsulfanyl)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[3-(2-pyridin-3-ylethylsulfanyl)phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[3-(2-pyridin-3-ylethylsulfanyl)phenyl]ethanamine is CCNC(C)c1cccc(SCCc2cccnc2)c1.
What is the InChIKey of N-ethyl-1-[3-(2-pyridin-3-ylethylsulfanyl)phenyl]ethanamine?
The InChIKey is YDSUKYCIORUFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-3-19-14(2)16-7-4-8-17(12-16)20-11-9-15-6-5-10-18-13-15/h4-8,10,12-14,19H,3,9,11H2,1-2H3.
What are the key properties of N-ethyl-1-[3-(2-pyridin-3-ylethylsulfanyl)phenyl]ethanamine?
N-ethyl-1-[3-(2-pyridin-3-ylethylsulfanyl)phenyl]ethanamine has a molecular weight of 286.44 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[3-(2-pyridin-3-ylethylsulfanyl)phenyl]ethanamine is sourced from PubChem (CID 64664651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).