N-[1-(1-ethylimidazol-2-yl)-2-(2-methylphenyl)sulfanylethyl]propan-1-amine

C17H25N3S — CID 66096354

IUPACN-[1-(1-ethylimidazol-2-yl)-2-(2-methylphenyl)sulfanylethyl]propan-1-amine
SMILESCCCNC(CSc1ccccc1C)c1nccn1CC
InChIInChI=1S/C17H25N3S/c1-4-10-18-15(17-19-11-12-20(17)5-2)13-21-16-9-7-6-8-14(16)3/h6-9,11-12,15,18H,4-5,10,13H2,1-3H3
InChIKeyTYYAKJVIPHGZGB-UHFFFAOYSA-N
MW303.47 g/mol
LogP4.04
Rot. Bonds8

About N-[1-(1-ethylimidazol-2-yl)-2-(2-methylphenyl)sulfanylethyl]propan-1-amine

N-[1-(1-ethylimidazol-2-yl)-2-(2-methylphenyl)sulfanylethyl]propan-1-amine (PubChem CID 66096354) has the molecular formula C17H25N3S and a molecular weight of 303.47 g/mol. Its IUPAC name is N-[1-(1-ethylimidazol-2-yl)-2-(2-methylphenyl)sulfanylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(1-ethylimidazol-2-yl)-2-(2-methylphenyl)sulfanylethyl]propan-1-amine
PubChem CID66096354
Molecular FormulaC17H25N3S
Molecular Weight303.47 g/mol
Exact Mass303.18
IUPAC NameN-[1-(1-ethylimidazol-2-yl)-2-(2-methylphenyl)sulfanylethyl]propan-1-amine
SMILESCCCNC(CSc1ccccc1C)c1nccn1CC
InChIInChI=1S/C17H25N3S/c1-4-10-18-15(17-19-11-12-20(17)5-2)13-21-16-9-7-6-8-14(16)3/h6-9,11-12,15,18H,4-5,10,13H2,1-3H3
InChIKeyTYYAKJVIPHGZGB-UHFFFAOYSA-N
XLogP4.04
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-methylphenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105237408
N-[1-(1-ethylimidazol-2-yl)-2-propan-2-ylsulfanylethyl]propan-1-amine
CID 65131968
N-ethyl-1-(1-methylimidazol-2-yl)-2-(2-methylphenyl)sulfanylethanamine
CID 66097173
N-[1-(1-ethylimidazol-2-yl)-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine
CID 65135149
1-(1-ethylimidazol-2-yl)-N-propyl-3-pyridin-2-ylpropan-1-amine
CID 105149718
N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanamine
CID 66053103
N-[1-(1-ethylimidazol-2-yl)-2-methoxyethyl]propan-1-amine
CID 63967707
1-(1-ethylimidazol-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 79752637
N-[1-(1-methylimidazol-2-yl)-2-(4-methylphenyl)sulfanylethyl]propan-1-amine
CID 66066993
N-[1-(2-methylphenyl)-2-pyrimidin-2-ylsulfanylethyl]propan-1-amine
CID 64649429
N-ethyl-1-(1-ethylimidazol-2-yl)-3-(2-methylphenyl)propan-1-amine
CID 105149854
N-[1-(1-ethylimidazol-2-yl)-2-(3-fluorophenyl)ethyl]propan-1-amine
CID 63970008

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethylimidazol-2-yl)-2-(2-methylphenyl)sulfanylethyl]propan-1-amine?
The IUPAC name of N-[1-(1-ethylimidazol-2-yl)-2-(2-methylphenyl)sulfanylethyl]propan-1-amine (CID 66096354) is N-[1-(1-ethylimidazol-2-yl)-2-(2-methylphenyl)sulfanylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(1-ethylimidazol-2-yl)-2-(2-methylphenyl)sulfanylethyl]propan-1-amine?
The canonical SMILES for N-[1-(1-ethylimidazol-2-yl)-2-(2-methylphenyl)sulfanylethyl]propan-1-amine is CCCNC(CSc1ccccc1C)c1nccn1CC.
What is the InChIKey of N-[1-(1-ethylimidazol-2-yl)-2-(2-methylphenyl)sulfanylethyl]propan-1-amine?
The InChIKey is TYYAKJVIPHGZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-4-10-18-15(17-19-11-12-20(17)5-2)13-21-16-9-7-6-8-14(16)3/h6-9,11-12,15,18H,4-5,10,13H2,1-3H3.
What are the key properties of N-[1-(1-ethylimidazol-2-yl)-2-(2-methylphenyl)sulfanylethyl]propan-1-amine?
N-[1-(1-ethylimidazol-2-yl)-2-(2-methylphenyl)sulfanylethyl]propan-1-amine has a molecular weight of 303.47 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethylimidazol-2-yl)-2-(2-methylphenyl)sulfanylethyl]propan-1-amine is sourced from PubChem (CID 66096354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).