[5-[(4-methylsulfanylphenoxy)methyl]furan-3-yl]methanamine

C13H15NO2S — CID 63648763

IUPAC[5-[(4-methylsulfanylphenoxy)methyl]furan-3-yl]methanamine
SMILESCSc1ccc(OCc2cc(CN)co2)cc1
InChIInChI=1S/C13H15NO2S/c1-17-13-4-2-11(3-5-13)16-9-12-6-10(7-14)8-15-12/h2-6,8H,7,9,14H2,1H3
InChIKeyQCCJWONZXCJRNJ-UHFFFAOYSA-N
MW249.34 g/mol
LogP3.04
Rot. Bonds5

About [5-[(4-methylsulfanylphenoxy)methyl]furan-3-yl]methanamine

[5-[(4-methylsulfanylphenoxy)methyl]furan-3-yl]methanamine (PubChem CID 63648763) has the molecular formula C13H15NO2S and a molecular weight of 249.34 g/mol. Its IUPAC name is [5-[(4-methylsulfanylphenoxy)methyl]furan-3-yl]methanamine.

Molecular Properties

Compound Name[5-[(4-methylsulfanylphenoxy)methyl]furan-3-yl]methanamine
PubChem CID63648763
Molecular FormulaC13H15NO2S
Molecular Weight249.34 g/mol
Exact Mass249.08
IUPAC Name[5-[(4-methylsulfanylphenoxy)methyl]furan-3-yl]methanamine
SMILESCSc1ccc(OCc2cc(CN)co2)cc1
InChIInChI=1S/C13H15NO2S/c1-17-13-4-2-11(3-5-13)16-9-12-6-10(7-14)8-15-12/h2-6,8H,7,9,14H2,1H3
InChIKeyQCCJWONZXCJRNJ-UHFFFAOYSA-N
XLogP3.04
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[(4-butylphenoxy)methyl]furan-3-yl]methanamine
CID 115493308
[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)furan-3-yl]methanamine
CID 55075492
[5-[(2,6-dimethoxyphenoxy)methyl]furan-3-yl]methanamine
CID 62449636
2-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]ethanamine
CID 105350932
[5-methyl-4-[(4-methylsulfanylphenoxy)methyl]thiophen-2-yl]methanamine
CID 80733329
4-[(4-methylsulfanylphenyl)methoxy]aniline
CID 54908756
[5-(butoxymethyl)furan-3-yl]methanamine
CID 62451528
4-[(4-methylsulfanylphenyl)methoxy]benzene-1,2-diamine
CID 69309683
[3-[3-(4-methylsulfanylphenoxy)propoxy]phenyl]methanamine
CID 63649819
[5-[(3-chloro-2-fluorophenoxy)methyl]furan-3-yl]methanamine
CID 116690352
[5-(2-ethoxyethoxymethyl)furan-3-yl]methanamine
CID 62444313
3-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]prop-2-yn-1-amine
CID 63649226

Frequently Asked Questions

What is the IUPAC name of [5-[(4-methylsulfanylphenoxy)methyl]furan-3-yl]methanamine?
The IUPAC name of [5-[(4-methylsulfanylphenoxy)methyl]furan-3-yl]methanamine (CID 63648763) is [5-[(4-methylsulfanylphenoxy)methyl]furan-3-yl]methanamine.
What is the SMILES notation for [5-[(4-methylsulfanylphenoxy)methyl]furan-3-yl]methanamine?
The canonical SMILES for [5-[(4-methylsulfanylphenoxy)methyl]furan-3-yl]methanamine is CSc1ccc(OCc2cc(CN)co2)cc1.
What is the InChIKey of [5-[(4-methylsulfanylphenoxy)methyl]furan-3-yl]methanamine?
The InChIKey is QCCJWONZXCJRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c1-17-13-4-2-11(3-5-13)16-9-12-6-10(7-14)8-15-12/h2-6,8H,7,9,14H2,1H3.
What are the key properties of [5-[(4-methylsulfanylphenoxy)methyl]furan-3-yl]methanamine?
[5-[(4-methylsulfanylphenoxy)methyl]furan-3-yl]methanamine has a molecular weight of 249.34 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-methylsulfanylphenoxy)methyl]furan-3-yl]methanamine is sourced from PubChem (CID 63648763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).