(1-ethylimidazol-2-yl)-(2-methylsulfanylphenyl)methanamine

C13H17N3S — CID 79206936

IUPAC(1-ethylimidazol-2-yl)-(2-methylsulfanylphenyl)methanamine
SMILESCCn1ccnc1C(N)c1ccccc1SC
InChIInChI=1S/C13H17N3S/c1-3-16-9-8-15-13(16)12(14)10-6-4-5-7-11(10)17-2/h4-9,12H,3,14H2,1-2H3
InChIKeyWVTUIIYYVBTPCK-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.67
Rot. Bonds4

About (1-ethylimidazol-2-yl)-(2-methylsulfanylphenyl)methanamine

(1-ethylimidazol-2-yl)-(2-methylsulfanylphenyl)methanamine (PubChem CID 79206936) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is (1-ethylimidazol-2-yl)-(2-methylsulfanylphenyl)methanamine.

Molecular Properties

Compound Name(1-ethylimidazol-2-yl)-(2-methylsulfanylphenyl)methanamine
PubChem CID79206936
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name(1-ethylimidazol-2-yl)-(2-methylsulfanylphenyl)methanamine
SMILESCCn1ccnc1C(N)c1ccccc1SC
InChIInChI=1S/C13H17N3S/c1-3-16-9-8-15-13(16)12(14)10-6-4-5-7-11(10)17-2/h4-9,12H,3,14H2,1-2H3
InChIKeyWVTUIIYYVBTPCK-UHFFFAOYSA-N
XLogP2.67
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-bromo-2-fluorophenyl)-(1-ethylimidazol-2-yl)methanamine
CID 114020081
(1-ethylimidazol-2-yl)-(4-ethylsulfanylphenyl)methanamine
CID 106848505
(1-ethylimidazol-2-yl)-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 61315339
(4-chloro-2,5-difluorophenyl)-(1-ethylimidazol-2-yl)methanamine
CID 82772685
1-(1-ethylimidazol-2-yl)ethanamine
CID 63970415
(1-propylimidazol-2-yl)-quinoxalin-5-ylmethanamine
CID 104615599
(2-chlorofuran-3-yl)-(1-propylimidazol-2-yl)methanamine
CID 106689402
2-(1-ethylimidazol-2-yl)-1-(2-methylphenyl)ethanamine
CID 79751911
(2-methylsulfanylphenyl)-quinolin-8-ylmethanamine
CID 105021362
(4-chloro-2-fluorophenyl)-(1-propylimidazol-2-yl)methanamine
CID 61316093
(5-fluoro-2-methylphenyl)-(1-propylimidazol-2-yl)methanamine
CID 63048979
(1-ethylimidazol-2-yl)-(1-phenylcyclopentyl)methanamine
CID 63968147

Frequently Asked Questions

What is the IUPAC name of (1-ethylimidazol-2-yl)-(2-methylsulfanylphenyl)methanamine?
The IUPAC name of (1-ethylimidazol-2-yl)-(2-methylsulfanylphenyl)methanamine (CID 79206936) is (1-ethylimidazol-2-yl)-(2-methylsulfanylphenyl)methanamine.
What is the SMILES notation for (1-ethylimidazol-2-yl)-(2-methylsulfanylphenyl)methanamine?
The canonical SMILES for (1-ethylimidazol-2-yl)-(2-methylsulfanylphenyl)methanamine is CCn1ccnc1C(N)c1ccccc1SC.
What is the InChIKey of (1-ethylimidazol-2-yl)-(2-methylsulfanylphenyl)methanamine?
The InChIKey is WVTUIIYYVBTPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-3-16-9-8-15-13(16)12(14)10-6-4-5-7-11(10)17-2/h4-9,12H,3,14H2,1-2H3.
What are the key properties of (1-ethylimidazol-2-yl)-(2-methylsulfanylphenyl)methanamine?
(1-ethylimidazol-2-yl)-(2-methylsulfanylphenyl)methanamine has a molecular weight of 247.37 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylimidazol-2-yl)-(2-methylsulfanylphenyl)methanamine is sourced from PubChem (CID 79206936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).