1-(furan-3-yl)-2-(4-methylphenyl)sulfanylethanamine

C13H15NOS — CID 66065391

IUPAC1-(furan-3-yl)-2-(4-methylphenyl)sulfanylethanamine
SMILESCc1ccc(SCC(N)c2ccoc2)cc1
InChIInChI=1S/C13H15NOS/c1-10-2-4-12(5-3-10)16-9-13(14)11-6-7-15-8-11/h2-8,13H,9,14H2,1H3
InChIKeyRMGJXFOVJUWXPJ-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.38
Rot. Bonds4

About 1-(furan-3-yl)-2-(4-methylphenyl)sulfanylethanamine

1-(furan-3-yl)-2-(4-methylphenyl)sulfanylethanamine (PubChem CID 66065391) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 1-(furan-3-yl)-2-(4-methylphenyl)sulfanylethanamine.

Molecular Properties

Compound Name1-(furan-3-yl)-2-(4-methylphenyl)sulfanylethanamine
PubChem CID66065391
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name1-(furan-3-yl)-2-(4-methylphenyl)sulfanylethanamine
SMILESCc1ccc(SCC(N)c2ccoc2)cc1
InChIInChI=1S/C13H15NOS/c1-10-2-4-12(5-3-10)16-9-13(14)11-6-7-15-8-11/h2-8,13H,9,14H2,1H3
InChIKeyRMGJXFOVJUWXPJ-UHFFFAOYSA-N
XLogP3.38
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-3-yl)-2-phenylsulfanylethanamine
CID 65142361
2-(3-bromophenyl)sulfanyl-1-(furan-3-yl)ethanamine
CID 66160002
1-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)sulfanylethanamine
CID 107560390
1-(4-methylphenyl)-2-(4-methylsulfonylphenyl)sulfanylethanamine
CID 64628350
1-(4-methylphenyl)-2-(4-nitrophenyl)sulfanylethanamine
CID 64611752
1-(furan-3-yl)-2-methoxyethanamine
CID 63948777
(2S)-2-amino-2-(furan-3-yl)ethanol;hydrochloride
CID 171212353
2-(4-methylphenyl)sulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64619482
(1R)-1-(furan-3-yl)-4-methylpentan-1-amine;hydrochloride
CID 171212351
1-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)sulfanylethanamine
CID 64627788
1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)sulfanylethanamine
CID 66071589
1-(7-methyl-1-benzofuran-2-yl)-2-(4-methylphenyl)sulfanylethanamine
CID 114729408

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-2-(4-methylphenyl)sulfanylethanamine?
The IUPAC name of 1-(furan-3-yl)-2-(4-methylphenyl)sulfanylethanamine (CID 66065391) is 1-(furan-3-yl)-2-(4-methylphenyl)sulfanylethanamine.
What is the SMILES notation for 1-(furan-3-yl)-2-(4-methylphenyl)sulfanylethanamine?
The canonical SMILES for 1-(furan-3-yl)-2-(4-methylphenyl)sulfanylethanamine is Cc1ccc(SCC(N)c2ccoc2)cc1.
What is the InChIKey of 1-(furan-3-yl)-2-(4-methylphenyl)sulfanylethanamine?
The InChIKey is RMGJXFOVJUWXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-10-2-4-12(5-3-10)16-9-13(14)11-6-7-15-8-11/h2-8,13H,9,14H2,1H3.
What are the key properties of 1-(furan-3-yl)-2-(4-methylphenyl)sulfanylethanamine?
1-(furan-3-yl)-2-(4-methylphenyl)sulfanylethanamine has a molecular weight of 233.34 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-2-(4-methylphenyl)sulfanylethanamine is sourced from PubChem (CID 66065391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).