N-ethyl-2-(1H-imidazol-2-ylsulfanyl)-1-(3-methylphenyl)ethanamine

C14H19N3S — CID 107784064

IUPACN-ethyl-2-(1H-imidazol-2-ylsulfanyl)-1-(3-methylphenyl)ethanamine
SMILESCCNC(CSc1ncc[nH]1)c1cccc(C)c1
InChIInChI=1S/C14H19N3S/c1-3-15-13(10-18-14-16-7-8-17-14)12-6-4-5-11(2)9-12/h4-9,13,15H,3,10H2,1-2H3,(H,16,17)
InChIKeyCMEUNRLXDSBNSY-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.16
Rot. Bonds6

About N-ethyl-2-(1H-imidazol-2-ylsulfanyl)-1-(3-methylphenyl)ethanamine

N-ethyl-2-(1H-imidazol-2-ylsulfanyl)-1-(3-methylphenyl)ethanamine (PubChem CID 107784064) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-ethyl-2-(1H-imidazol-2-ylsulfanyl)-1-(3-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(1H-imidazol-2-ylsulfanyl)-1-(3-methylphenyl)ethanamine
PubChem CID107784064
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC NameN-ethyl-2-(1H-imidazol-2-ylsulfanyl)-1-(3-methylphenyl)ethanamine
SMILESCCNC(CSc1ncc[nH]1)c1cccc(C)c1
InChIInChI=1S/C14H19N3S/c1-3-15-13(10-18-14-16-7-8-17-14)12-6-4-5-11(2)9-12/h4-9,13,15H,3,10H2,1-2H3,(H,16,17)
InChIKeyCMEUNRLXDSBNSY-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(1H-imidazol-2-ylsulfanyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 107783914
N-ethyl-1-(3-methylphenyl)-2-phenylsulfanylethanamine
CID 64619202
N-ethyl-2-(3-methylphenyl)sulfanyl-1-pyridin-3-ylethanamine
CID 66086423
2-(1H-imidazol-2-ylsulfanyl)-N-methyl-1-(4-methylphenyl)ethanamine
CID 107783873
N-[2-(1H-imidazol-2-ylsulfanyl)-1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 107783749
N-ethyl-1-(3-methylphenyl)butan-1-amine
CID 60818713
N-ethyl-1-(3-fluorophenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 66086617
3-(ethylamino)-3-(3-methylphenyl)propan-1-ol
CID 64812392
N,3-diethyl-1-(3-methylphenyl)pentan-1-amine
CID 82922212
N-[1-(3-methylphenyl)-2-methylsulfanylethyl]propan-1-amine
CID 62693018
N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 79697557
N-ethyl-2-(3-methylphenyl)sulfanyl-1-pyrimidin-5-ylethanamine
CID 66086234

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1H-imidazol-2-ylsulfanyl)-1-(3-methylphenyl)ethanamine?
The IUPAC name of N-ethyl-2-(1H-imidazol-2-ylsulfanyl)-1-(3-methylphenyl)ethanamine (CID 107784064) is N-ethyl-2-(1H-imidazol-2-ylsulfanyl)-1-(3-methylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(1H-imidazol-2-ylsulfanyl)-1-(3-methylphenyl)ethanamine?
The canonical SMILES for N-ethyl-2-(1H-imidazol-2-ylsulfanyl)-1-(3-methylphenyl)ethanamine is CCNC(CSc1ncc[nH]1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-2-(1H-imidazol-2-ylsulfanyl)-1-(3-methylphenyl)ethanamine?
The InChIKey is CMEUNRLXDSBNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-3-15-13(10-18-14-16-7-8-17-14)12-6-4-5-11(2)9-12/h4-9,13,15H,3,10H2,1-2H3,(H,16,17).
What are the key properties of N-ethyl-2-(1H-imidazol-2-ylsulfanyl)-1-(3-methylphenyl)ethanamine?
N-ethyl-2-(1H-imidazol-2-ylsulfanyl)-1-(3-methylphenyl)ethanamine has a molecular weight of 261.39 g/mol, XLogP of 3.16, 6 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-(3-methylphenyl)ethanamine is sourced from PubChem (CID 107784064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).