1-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylpropan-1-amine

C14H19N3OS — CID 64620589

IUPAC1-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylpropan-1-amine
SMILESCOc1ccc(C(N)C(C)Sc2nccn2C)cc1
InChIInChI=1S/C14H19N3OS/c1-10(19-14-16-8-9-17(14)2)13(15)11-4-6-12(18-3)7-5-11/h4-10,13H,15H2,1-3H3
InChIKeyDMIXDBCYKYDZAQ-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.61
Rot. Bonds5

About 1-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylpropan-1-amine

1-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylpropan-1-amine (PubChem CID 64620589) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylpropan-1-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylpropan-1-amine
PubChem CID64620589
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name1-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylpropan-1-amine
SMILESCOc1ccc(C(N)C(C)Sc2nccn2C)cc1
InChIInChI=1S/C14H19N3OS/c1-10(19-14-16-8-9-17(14)2)13(15)11-4-6-12(18-3)7-5-11/h4-10,13H,15H2,1-3H3
InChIKeyDMIXDBCYKYDZAQ-UHFFFAOYSA-N
XLogP2.61
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropan-1-amine
CID 64627830
1-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 171986196
1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)sulfanylpropan-2-amine
CID 55015222
2-(4-methoxyphenyl)-5-[1-(1-methylimidazol-2-yl)sulfanylethyl]-1,3,4-oxadiazole
CID 18201150
2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-amine
CID 64619348
1-(4-methoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-amine
CID 64625732
1-(1-methylimidazol-2-yl)sulfanylpropan-2-amine
CID 64621367
1-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone;hydrobromide
CID 17386104
2-[1-amino-1-(4-methoxyphenyl)propan-2-yl]sulfanylacetamide
CID 114231462
1-(1-methylimidazol-2-yl)sulfanyl-1-(4-methylphenyl)butan-2-amine
CID 55015176
2-(2-methoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanamine
CID 55021604
(3S)-3-(4-methoxyphenyl)-1-(1-methylimidazol-2-yl)butan-1-one
CID 122382823

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylpropan-1-amine?
The IUPAC name of 1-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylpropan-1-amine (CID 64620589) is 1-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylpropan-1-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylpropan-1-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylpropan-1-amine is COc1ccc(C(N)C(C)Sc2nccn2C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylpropan-1-amine?
The InChIKey is DMIXDBCYKYDZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-10(19-14-16-8-9-17(14)2)13(15)11-4-6-12(18-3)7-5-11/h4-10,13H,15H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylpropan-1-amine?
1-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylpropan-1-amine has a molecular weight of 277.39 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylpropan-1-amine is sourced from PubChem (CID 64620589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).