(1-ethylimidazol-2-yl)-(4-ethylsulfanylphenyl)methanamine

C14H19N3S — CID 106848505

IUPAC(1-ethylimidazol-2-yl)-(4-ethylsulfanylphenyl)methanamine
SMILESCCSc1ccc(C(N)c2nccn2CC)cc1
InChIInChI=1S/C14H19N3S/c1-3-17-10-9-16-14(17)13(15)11-5-7-12(8-6-11)18-4-2/h5-10,13H,3-4,15H2,1-2H3
InChIKeyZHBGGOVYPFGIBJ-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.06
Rot. Bonds5

About (1-ethylimidazol-2-yl)-(4-ethylsulfanylphenyl)methanamine

(1-ethylimidazol-2-yl)-(4-ethylsulfanylphenyl)methanamine (PubChem CID 106848505) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is (1-ethylimidazol-2-yl)-(4-ethylsulfanylphenyl)methanamine.

Molecular Properties

Compound Name(1-ethylimidazol-2-yl)-(4-ethylsulfanylphenyl)methanamine
PubChem CID106848505
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name(1-ethylimidazol-2-yl)-(4-ethylsulfanylphenyl)methanamine
SMILESCCSc1ccc(C(N)c2nccn2CC)cc1
InChIInChI=1S/C14H19N3S/c1-3-17-10-9-16-14(17)13(15)11-5-7-12(8-6-11)18-4-2/h5-10,13H,3-4,15H2,1-2H3
InChIKeyZHBGGOVYPFGIBJ-UHFFFAOYSA-N
XLogP3.06
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-ethylimidazol-2-yl)-(2-methylsulfanylphenyl)methanamine
CID 79206936
(1-ethylimidazol-2-yl)-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 61315339
1-(1-ethylimidazol-2-yl)ethanamine
CID 63970415
(3-bromo-5-chlorophenyl)-(1-ethylimidazol-2-yl)methanamine
CID 114019284
(4-ethylsulfanylphenyl)methanediamine
CID 116939199
(6-bromonaphthalen-2-yl)-(1-propylimidazol-2-yl)methanamine
CID 115354391
(4-ethoxyphenyl)-(4-ethylsulfanylphenyl)methanamine
CID 106848489
1-(4-ethylsulfanylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 106848552
1-(4-ethylsulfanylphenyl)-N',N'-dimethylmethanediamine
CID 116909120
2-(4-fluorophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanamine
CID 66070569
(1-ethylimidazol-2-yl)-(thiadiazol-5-yl)methanamine
CID 65215055
1-(4-ethylsulfanylphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 106848789

Frequently Asked Questions

What is the IUPAC name of (1-ethylimidazol-2-yl)-(4-ethylsulfanylphenyl)methanamine?
The IUPAC name of (1-ethylimidazol-2-yl)-(4-ethylsulfanylphenyl)methanamine (CID 106848505) is (1-ethylimidazol-2-yl)-(4-ethylsulfanylphenyl)methanamine.
What is the SMILES notation for (1-ethylimidazol-2-yl)-(4-ethylsulfanylphenyl)methanamine?
The canonical SMILES for (1-ethylimidazol-2-yl)-(4-ethylsulfanylphenyl)methanamine is CCSc1ccc(C(N)c2nccn2CC)cc1.
What is the InChIKey of (1-ethylimidazol-2-yl)-(4-ethylsulfanylphenyl)methanamine?
The InChIKey is ZHBGGOVYPFGIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-3-17-10-9-16-14(17)13(15)11-5-7-12(8-6-11)18-4-2/h5-10,13H,3-4,15H2,1-2H3.
What are the key properties of (1-ethylimidazol-2-yl)-(4-ethylsulfanylphenyl)methanamine?
(1-ethylimidazol-2-yl)-(4-ethylsulfanylphenyl)methanamine has a molecular weight of 261.39 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylimidazol-2-yl)-(4-ethylsulfanylphenyl)methanamine is sourced from PubChem (CID 106848505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).