N-ethyl-1-[2-(1H-imidazol-2-ylsulfanyl)phenyl]propan-1-amine

C14H19N3S — CID 107780572

IUPACN-ethyl-1-[2-(1H-imidazol-2-ylsulfanyl)phenyl]propan-1-amine
SMILESCCNC(CC)c1ccccc1Sc1ncc[nH]1
InChIInChI=1S/C14H19N3S/c1-3-12(15-4-2)11-7-5-6-8-13(11)18-14-16-9-10-17-14/h5-10,12,15H,3-4H2,1-2H3,(H,16,17)
InChIKeyKREVDKYKWTWNQS-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.62
Rot. Bonds6

About N-ethyl-1-[2-(1H-imidazol-2-ylsulfanyl)phenyl]propan-1-amine

N-ethyl-1-[2-(1H-imidazol-2-ylsulfanyl)phenyl]propan-1-amine (PubChem CID 107780572) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-ethyl-1-[2-(1H-imidazol-2-ylsulfanyl)phenyl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[2-(1H-imidazol-2-ylsulfanyl)phenyl]propan-1-amine
PubChem CID107780572
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC NameN-ethyl-1-[2-(1H-imidazol-2-ylsulfanyl)phenyl]propan-1-amine
SMILESCCNC(CC)c1ccccc1Sc1ncc[nH]1
InChIInChI=1S/C14H19N3S/c1-3-12(15-4-2)11-7-5-6-8-13(11)18-14-16-9-10-17-14/h5-10,12,15H,3-4H2,1-2H3,(H,16,17)
InChIKeyKREVDKYKWTWNQS-UHFFFAOYSA-N
XLogP3.62
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1H-imidazol-2-ylsulfanyl)phenyl]-N-methylpropan-1-amine
CID 107780626
1-[2-(1H-imidazol-2-ylsulfanyl)phenyl]-N-methylethanamine
CID 107780639
N-[[2-(1H-imidazol-2-ylsulfanyl)phenyl]methyl]ethanamine
CID 107783150
1-[2-(1H-imidazol-2-ylsulfanyl)phenyl]butan-2-amine
CID 114001168
2-[2-[1-(propylamino)propyl]phenyl]sulfanyl-1H-pyrimidin-6-one
CID 115995801
2-(2-methylphenyl)sulfanyl-1H-imidazole
CID 67575257
1-[2-(4-chlorophenyl)sulfanylphenyl]-N-ethylpropan-1-amine
CID 115995754
N-ethyl-2-(1H-imidazol-2-ylsulfanyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 107783914
N-propyl-1-[2-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]propan-1-amine
CID 112678548
N-ethyl-1-[2-(4-methoxyphenyl)sulfanylphenyl]propan-1-amine
CID 115995781
N-ethyl-2-(1H-imidazol-2-ylsulfanyl)-1-(3-methylphenyl)ethanamine
CID 107784064
1-[2-bromo-4-(1H-imidazol-2-ylsulfanyl)phenyl]-N-ethylethanamine
CID 114069610

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-(1H-imidazol-2-ylsulfanyl)phenyl]propan-1-amine?
The IUPAC name of N-ethyl-1-[2-(1H-imidazol-2-ylsulfanyl)phenyl]propan-1-amine (CID 107780572) is N-ethyl-1-[2-(1H-imidazol-2-ylsulfanyl)phenyl]propan-1-amine.
What is the SMILES notation for N-ethyl-1-[2-(1H-imidazol-2-ylsulfanyl)phenyl]propan-1-amine?
The canonical SMILES for N-ethyl-1-[2-(1H-imidazol-2-ylsulfanyl)phenyl]propan-1-amine is CCNC(CC)c1ccccc1Sc1ncc[nH]1.
What is the InChIKey of N-ethyl-1-[2-(1H-imidazol-2-ylsulfanyl)phenyl]propan-1-amine?
The InChIKey is KREVDKYKWTWNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-3-12(15-4-2)11-7-5-6-8-13(11)18-14-16-9-10-17-14/h5-10,12,15H,3-4H2,1-2H3,(H,16,17).
What are the key properties of N-ethyl-1-[2-(1H-imidazol-2-ylsulfanyl)phenyl]propan-1-amine?
N-ethyl-1-[2-(1H-imidazol-2-ylsulfanyl)phenyl]propan-1-amine has a molecular weight of 261.39 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-(1H-imidazol-2-ylsulfanyl)phenyl]propan-1-amine is sourced from PubChem (CID 107780572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).