N-ethyl-1-(1-methylimidazol-2-yl)-2-(2-methylphenyl)sulfanylethanamine

C15H21N3S — CID 66097173

IUPACN-ethyl-1-(1-methylimidazol-2-yl)-2-(2-methylphenyl)sulfanylethanamine
SMILESCCNC(CSc1ccccc1C)c1nccn1C
InChIInChI=1S/C15H21N3S/c1-4-16-13(15-17-9-10-18(15)3)11-19-14-8-6-5-7-12(14)2/h5-10,13,16H,4,11H2,1-3H3
InChIKeyCBVKXBIXVGPQDF-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.17
Rot. Bonds6

About N-ethyl-1-(1-methylimidazol-2-yl)-2-(2-methylphenyl)sulfanylethanamine

N-ethyl-1-(1-methylimidazol-2-yl)-2-(2-methylphenyl)sulfanylethanamine (PubChem CID 66097173) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-ethyl-1-(1-methylimidazol-2-yl)-2-(2-methylphenyl)sulfanylethanamine.

Molecular Properties

Compound NameN-ethyl-1-(1-methylimidazol-2-yl)-2-(2-methylphenyl)sulfanylethanamine
PubChem CID66097173
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC NameN-ethyl-1-(1-methylimidazol-2-yl)-2-(2-methylphenyl)sulfanylethanamine
SMILESCCNC(CSc1ccccc1C)c1nccn1C
InChIInChI=1S/C15H21N3S/c1-4-16-13(15-17-9-10-18(15)3)11-19-14-8-6-5-7-12(14)2/h5-10,13,16H,4,11H2,1-3H3
InChIKeyCBVKXBIXVGPQDF-UHFFFAOYSA-N
XLogP3.17
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-ethylimidazol-2-yl)-2-(2-methylphenyl)sulfanylethyl]propan-1-amine
CID 66096354
[2-(2-methylphenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105237408
N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanamine
CID 66053103
2-butan-2-ylsulfanyl-N-ethyl-1-(1-methylimidazol-2-yl)ethanamine
CID 65136608
N-ethyl-1-(1-methylimidazol-2-yl)-3-phenylpropan-1-amine
CID 63974955
N-[1-(1-methylimidazol-2-yl)-2-(4-methylphenyl)sulfanylethyl]propan-1-amine
CID 66066993
N-ethyl-1-(1-methylimidazol-2-yl)-2-(3-methylphenyl)ethanamine
CID 63976652
N-methyl-1-(1-methylimidazol-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 79761270
1-(2,6-difluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine
CID 66097384
1-(3,5-difluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine
CID 66098648
N-ethyl-2-(2-methylphenyl)sulfanyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 115374729
N-[1-(1-methylimidazol-2-yl)-2-methylsulfanylethyl]propan-1-amine
CID 63976870

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-methylimidazol-2-yl)-2-(2-methylphenyl)sulfanylethanamine?
The IUPAC name of N-ethyl-1-(1-methylimidazol-2-yl)-2-(2-methylphenyl)sulfanylethanamine (CID 66097173) is N-ethyl-1-(1-methylimidazol-2-yl)-2-(2-methylphenyl)sulfanylethanamine.
What is the SMILES notation for N-ethyl-1-(1-methylimidazol-2-yl)-2-(2-methylphenyl)sulfanylethanamine?
The canonical SMILES for N-ethyl-1-(1-methylimidazol-2-yl)-2-(2-methylphenyl)sulfanylethanamine is CCNC(CSc1ccccc1C)c1nccn1C.
What is the InChIKey of N-ethyl-1-(1-methylimidazol-2-yl)-2-(2-methylphenyl)sulfanylethanamine?
The InChIKey is CBVKXBIXVGPQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-4-16-13(15-17-9-10-18(15)3)11-19-14-8-6-5-7-12(14)2/h5-10,13,16H,4,11H2,1-3H3.
What are the key properties of N-ethyl-1-(1-methylimidazol-2-yl)-2-(2-methylphenyl)sulfanylethanamine?
N-ethyl-1-(1-methylimidazol-2-yl)-2-(2-methylphenyl)sulfanylethanamine has a molecular weight of 275.42 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-methylimidazol-2-yl)-2-(2-methylphenyl)sulfanylethanamine is sourced from PubChem (CID 66097173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).