2-(2-methoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanamine

C13H17N3OS — CID 55021604

IUPAC2-(2-methoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanamine
SMILESCOc1ccccc1C(CN)Sc1nccn1C
InChIInChI=1S/C13H17N3OS/c1-16-8-7-15-13(16)18-12(9-14)10-5-3-4-6-11(10)17-2/h3-8,12H,9,14H2,1-2H3
InChIKeyNRBBLGANMDHLEL-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.22
Rot. Bonds5

About 2-(2-methoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanamine

2-(2-methoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanamine (PubChem CID 55021604) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanamine.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanamine
PubChem CID55021604
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name2-(2-methoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanamine
SMILESCOc1ccccc1C(CN)Sc1nccn1C
InChIInChI=1S/C13H17N3OS/c1-16-8-7-15-13(16)18-12(9-14)10-5-3-4-6-11(10)17-2/h3-8,12H,9,14H2,1-2H3
InChIKeyNRBBLGANMDHLEL-UHFFFAOYSA-N
XLogP2.22
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(1-methylimidazol-2-yl)sulfanylethoxy]aniline
CID 43174485
1-(2-fluorophenyl)-1-(1-methylimidazol-2-yl)sulfanylpropan-2-amine
CID 55018556
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 61315755
2-(3,4-dimethoxyphenyl)sulfanyl-1-methylimidazole
CID 15077503
1-(2-methoxyphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114529894
1-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylpropan-1-amine
CID 64620589
N-methyl-1-[2-(1-methylimidazol-2-yl)sulfanylphenyl]propan-1-amine
CID 112678538
(1S)-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 51699599
1-(2-methoxy-5-methylphenyl)-N-methyl-2-(1-methylimidazol-2-yl)sulfanylethanamine
CID 64619425
1-(2-methoxyphenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 61210525
1-[2-(1-methylimidazol-2-yl)sulfanylphenyl]propan-1-ol
CID 112680041
(2R)-2-(1-methylimidazol-2-yl)sulfanyl-2-phenylacetamide
CID 94017809

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanamine?
The IUPAC name of 2-(2-methoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanamine (CID 55021604) is 2-(2-methoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanamine.
What is the SMILES notation for 2-(2-methoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanamine?
The canonical SMILES for 2-(2-methoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanamine is COc1ccccc1C(CN)Sc1nccn1C.
What is the InChIKey of 2-(2-methoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanamine?
The InChIKey is NRBBLGANMDHLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-16-8-7-15-13(16)18-12(9-14)10-5-3-4-6-11(10)17-2/h3-8,12H,9,14H2,1-2H3.
What are the key properties of 2-(2-methoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanamine?
2-(2-methoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanamine has a molecular weight of 263.37 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanamine is sourced from PubChem (CID 55021604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).