1-(4-ethylsulfanylphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine

C17H25N3S — CID 106848789

IUPAC1-(4-ethylsulfanylphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
SMILESCCCn1ccnc1CC(NC)c1ccc(SCC)cc1
InChIInChI=1S/C17H25N3S/c1-4-11-20-12-10-19-17(20)13-16(18-3)14-6-8-15(9-7-14)21-5-2/h6-10,12,16,18H,4-5,11,13H2,1-3H3
InChIKeyRXNLGUQOIKRNQM-UHFFFAOYSA-N
MW303.48 g/mol
LogP3.91
Rot. Bonds8

About 1-(4-ethylsulfanylphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine

1-(4-ethylsulfanylphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine (PubChem CID 106848789) has the molecular formula C17H25N3S and a molecular weight of 303.48 g/mol. Its IUPAC name is 1-(4-ethylsulfanylphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(4-ethylsulfanylphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
PubChem CID106848789
Molecular FormulaC17H25N3S
Molecular Weight303.48 g/mol
Exact Mass303.18
IUPAC Name1-(4-ethylsulfanylphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
SMILESCCCn1ccnc1CC(NC)c1ccc(SCC)cc1
InChIInChI=1S/C17H25N3S/c1-4-11-20-12-10-19-17(20)13-16(18-3)14-6-8-15(9-7-14)21-5-2/h6-10,12,16,18H,4-5,11,13H2,1-3H3
InChIKeyRXNLGUQOIKRNQM-UHFFFAOYSA-N
XLogP3.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.48
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-4-[1-(methylamino)-2-(1-propylimidazol-2-yl)ethyl]aniline
CID 105167752
1-(4-chlorophenyl)sulfanyl-N-methyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79752060
1-(4-fluoro-3-methylphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79751378
1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 105012440
[1-(4-iodophenyl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105323447
1-(2,4-dichlorophenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 105012439
N-methyl-1-(6-methyl-2-pyridinyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 79752583
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-ethylsulfanylphenyl)-N-methylethanamine
CID 106848854
1-(2-chloro-4-methylphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 106858171
1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79780317
[1-(4-ethylsulfanylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 106850511
1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 105167615

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylsulfanylphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine?
The IUPAC name of 1-(4-ethylsulfanylphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine (CID 106848789) is 1-(4-ethylsulfanylphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(4-ethylsulfanylphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(4-ethylsulfanylphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine is CCCn1ccnc1CC(NC)c1ccc(SCC)cc1.
What is the InChIKey of 1-(4-ethylsulfanylphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine?
The InChIKey is RXNLGUQOIKRNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-4-11-20-12-10-19-17(20)13-16(18-3)14-6-8-15(9-7-14)21-5-2/h6-10,12,16,18H,4-5,11,13H2,1-3H3.
What are the key properties of 1-(4-ethylsulfanylphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine?
1-(4-ethylsulfanylphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine has a molecular weight of 303.48 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylsulfanylphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine is sourced from PubChem (CID 106848789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).