N-methyl-2-(2-methylfuran-3-yl)sulfanyl-1-(4-methylphenyl)ethanamine

C15H19NOS — CID 107784202

IUPACN-methyl-2-(2-methylfuran-3-yl)sulfanyl-1-(4-methylphenyl)ethanamine
SMILESCNC(CSc1ccoc1C)c1ccc(C)cc1
InChIInChI=1S/C15H19NOS/c1-11-4-6-13(7-5-11)14(16-3)10-18-15-8-9-17-12(15)2/h4-9,14,16H,10H2,1-3H3
InChIKeyUCEGLYHIIAACIN-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.95
Rot. Bonds5

About N-methyl-2-(2-methylfuran-3-yl)sulfanyl-1-(4-methylphenyl)ethanamine

N-methyl-2-(2-methylfuran-3-yl)sulfanyl-1-(4-methylphenyl)ethanamine (PubChem CID 107784202) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is N-methyl-2-(2-methylfuran-3-yl)sulfanyl-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(2-methylfuran-3-yl)sulfanyl-1-(4-methylphenyl)ethanamine
PubChem CID107784202
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC NameN-methyl-2-(2-methylfuran-3-yl)sulfanyl-1-(4-methylphenyl)ethanamine
SMILESCNC(CSc1ccoc1C)c1ccc(C)cc1
InChIInChI=1S/C15H19NOS/c1-11-4-6-13(7-5-11)14(16-3)10-18-15-8-9-17-12(15)2/h4-9,14,16H,10H2,1-3H3
InChIKeyUCEGLYHIIAACIN-UHFFFAOYSA-N
XLogP3.95
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(2-methylfuran-3-yl)sulfanyl-1-naphthalen-1-ylethanamine
CID 107784351
2-(2,5-dimethylphenyl)sulfanyl-N-methyl-1-(4-methylphenyl)ethanamine
CID 64648242
1-(1-benzofuran-2-yl)-N-methyl-2-(2-methylfuran-3-yl)sulfanylethanamine
CID 107784125
N-methyl-1-(2-methylfuran-3-yl)sulfanylpentan-2-amine
CID 107784337
1-(2,4-dimethoxyphenyl)-N-methyl-2-(2-methylfuran-3-yl)sulfanylethanamine
CID 107784147
N-ethyl-2-(2-methylfuran-3-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 107784290
N-methyl-1-(4-methylphenyl)-2-(4-methylpyrimidin-2-yl)sulfanylethanamine
CID 64633477
2-methyl-3-(2-methylbutylsulfanyl)furan
CID 91705262
(1S)-2-fluoro-N-methyl-1-(4-methylphenyl)ethanamine
CID 90212789
3-(2-methylfuran-3-yl)sulfanylpropane-1,2-diol
CID 104922695
N-methyl-1-(4-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
CID 64648111
N-methyl-1-(4-methylphenyl)-2-(2-methylsulfonylethylsulfanyl)ethanamine
CID 64609417

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylfuran-3-yl)sulfanyl-1-(4-methylphenyl)ethanamine?
The IUPAC name of N-methyl-2-(2-methylfuran-3-yl)sulfanyl-1-(4-methylphenyl)ethanamine (CID 107784202) is N-methyl-2-(2-methylfuran-3-yl)sulfanyl-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for N-methyl-2-(2-methylfuran-3-yl)sulfanyl-1-(4-methylphenyl)ethanamine?
The canonical SMILES for N-methyl-2-(2-methylfuran-3-yl)sulfanyl-1-(4-methylphenyl)ethanamine is CNC(CSc1ccoc1C)c1ccc(C)cc1.
What is the InChIKey of N-methyl-2-(2-methylfuran-3-yl)sulfanyl-1-(4-methylphenyl)ethanamine?
The InChIKey is UCEGLYHIIAACIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-11-4-6-13(7-5-11)14(16-3)10-18-15-8-9-17-12(15)2/h4-9,14,16H,10H2,1-3H3.
What are the key properties of N-methyl-2-(2-methylfuran-3-yl)sulfanyl-1-(4-methylphenyl)ethanamine?
N-methyl-2-(2-methylfuran-3-yl)sulfanyl-1-(4-methylphenyl)ethanamine has a molecular weight of 261.39 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylfuran-3-yl)sulfanyl-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 107784202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).