N-ethyl-2-(1H-imidazol-2-ylsulfanyl)-1-(4-propan-2-ylphenyl)ethanamine

C16H23N3S — CID 107783914

IUPACN-ethyl-2-(1H-imidazol-2-ylsulfanyl)-1-(4-propan-2-ylphenyl)ethanamine
SMILESCCNC(CSc1ncc[nH]1)c1ccc(C(C)C)cc1
InChIInChI=1S/C16H23N3S/c1-4-17-15(11-20-16-18-9-10-19-16)14-7-5-13(6-8-14)12(2)3/h5-10,12,15,17H,4,11H2,1-3H3,(H,18,19)
InChIKeyHRZUEPOXSBHRIU-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.98
Rot. Bonds7

About N-ethyl-2-(1H-imidazol-2-ylsulfanyl)-1-(4-propan-2-ylphenyl)ethanamine

N-ethyl-2-(1H-imidazol-2-ylsulfanyl)-1-(4-propan-2-ylphenyl)ethanamine (PubChem CID 107783914) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is N-ethyl-2-(1H-imidazol-2-ylsulfanyl)-1-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(1H-imidazol-2-ylsulfanyl)-1-(4-propan-2-ylphenyl)ethanamine
PubChem CID107783914
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC NameN-ethyl-2-(1H-imidazol-2-ylsulfanyl)-1-(4-propan-2-ylphenyl)ethanamine
SMILESCCNC(CSc1ncc[nH]1)c1ccc(C(C)C)cc1
InChIInChI=1S/C16H23N3S/c1-4-17-15(11-20-16-18-9-10-19-16)14-7-5-13(6-8-14)12(2)3/h5-10,12,15,17H,4,11H2,1-3H3,(H,18,19)
InChIKeyHRZUEPOXSBHRIU-UHFFFAOYSA-N
XLogP3.98
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-imidazol-2-ylsulfanyl)-1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 107783749
N-ethyl-2-(1H-imidazol-2-ylsulfanyl)-1-(3-methylphenyl)ethanamine
CID 107784064
2-(1H-imidazol-2-ylsulfanyl)-N-methyl-1-(4-methylphenyl)ethanamine
CID 107783873
1-(1H-imidazol-2-ylsulfanyl)-N-propylpropan-2-amine
CID 107783836
N-ethyl-5-(1H-imidazol-2-ylsulfanyl)pentan-2-amine
CID 107784010
N-ethyl-1-[2-(1H-imidazol-2-ylsulfanyl)phenyl]propan-1-amine
CID 107780572
N-ethyl-6-(1H-imidazol-2-ylsulfanyl)hexan-3-amine
CID 107783983
N-ethyl-2-(1H-imidazol-2-ylsulfanyl)-3-methyl-1-phenylbutan-1-amine
CID 107784066
N-ethyl-1-(4-methoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine
CID 64622182
N-ethyl-1-(4-propylphenyl)-2-pyrimidin-4-ylsulfanylethanamine
CID 64626452
3-(1H-imidazol-2-ylsulfanyl)-2-(propylamino)propanoic acid
CID 107781988
N,3-diethyl-1-(4-propan-2-ylphenyl)pentan-1-amine
CID 82920734

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1H-imidazol-2-ylsulfanyl)-1-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of N-ethyl-2-(1H-imidazol-2-ylsulfanyl)-1-(4-propan-2-ylphenyl)ethanamine (CID 107783914) is N-ethyl-2-(1H-imidazol-2-ylsulfanyl)-1-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(1H-imidazol-2-ylsulfanyl)-1-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for N-ethyl-2-(1H-imidazol-2-ylsulfanyl)-1-(4-propan-2-ylphenyl)ethanamine is CCNC(CSc1ncc[nH]1)c1ccc(C(C)C)cc1.
What is the InChIKey of N-ethyl-2-(1H-imidazol-2-ylsulfanyl)-1-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is HRZUEPOXSBHRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-4-17-15(11-20-16-18-9-10-19-16)14-7-5-13(6-8-14)12(2)3/h5-10,12,15,17H,4,11H2,1-3H3,(H,18,19).
What are the key properties of N-ethyl-2-(1H-imidazol-2-ylsulfanyl)-1-(4-propan-2-ylphenyl)ethanamine?
N-ethyl-2-(1H-imidazol-2-ylsulfanyl)-1-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 289.45 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1H-imidazol-2-ylsulfanyl)-1-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 107783914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).