(4-ethylsulfanylphenyl)-(furan-3-yl)methanamine

C13H15NOS — CID 106848700

IUPAC(4-ethylsulfanylphenyl)-(furan-3-yl)methanamine
SMILESCCSc1ccc(C(N)c2ccoc2)cc1
InChIInChI=1S/C13H15NOS/c1-2-16-12-5-3-10(4-6-12)13(14)11-7-8-15-9-11/h3-9,13H,2,14H2,1H3
InChIKeyXUIOFKWFXWJQJC-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.44
Rot. Bonds4

About (4-ethylsulfanylphenyl)-(furan-3-yl)methanamine

(4-ethylsulfanylphenyl)-(furan-3-yl)methanamine (PubChem CID 106848700) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is (4-ethylsulfanylphenyl)-(furan-3-yl)methanamine.

Molecular Properties

Compound Name(4-ethylsulfanylphenyl)-(furan-3-yl)methanamine
PubChem CID106848700
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name(4-ethylsulfanylphenyl)-(furan-3-yl)methanamine
SMILESCCSc1ccc(C(N)c2ccoc2)cc1
InChIInChI=1S/C13H15NOS/c1-2-16-12-5-3-10(4-6-12)13(14)11-7-8-15-9-11/h3-9,13H,2,14H2,1H3
InChIKeyXUIOFKWFXWJQJC-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylsulfanylphenyl)-1-(furan-3-yl)-N-methylmethanamine
CID 106848987
furan-3-yl-(4-propylphenyl)methanamine
CID 43464286
N-[(4-ethylsulfanylphenyl)-(furan-3-yl)methyl]propan-1-amine
CID 106849348
3-ethylsulfanylfuran
CID 173392282
(4-ethylsulfanylphenyl)methanediamine
CID 116939199
(4-ethoxyphenyl)-(4-ethylsulfanylphenyl)methanamine
CID 106848489
(3,4-dimethylphenyl)-(furan-3-yl)methanamine
CID 43464604
1-(furan-3-yl)-2-(4-methylphenyl)sulfanylethanamine
CID 66065391
(4-ethylsulfanylphenyl)-(3-methylphenyl)methanamine
CID 106848621
amino-(4-ethylsulfanylphenyl)methanol
CID 116939661
(1-ethylimidazol-2-yl)-(4-ethylsulfanylphenyl)methanamine
CID 106848505
2-amino-2-(4-ethylsulfanylphenyl)ethanol
CID 77129802

Frequently Asked Questions

What is the IUPAC name of (4-ethylsulfanylphenyl)-(furan-3-yl)methanamine?
The IUPAC name of (4-ethylsulfanylphenyl)-(furan-3-yl)methanamine (CID 106848700) is (4-ethylsulfanylphenyl)-(furan-3-yl)methanamine.
What is the SMILES notation for (4-ethylsulfanylphenyl)-(furan-3-yl)methanamine?
The canonical SMILES for (4-ethylsulfanylphenyl)-(furan-3-yl)methanamine is CCSc1ccc(C(N)c2ccoc2)cc1.
What is the InChIKey of (4-ethylsulfanylphenyl)-(furan-3-yl)methanamine?
The InChIKey is XUIOFKWFXWJQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-2-16-12-5-3-10(4-6-12)13(14)11-7-8-15-9-11/h3-9,13H,2,14H2,1H3.
What are the key properties of (4-ethylsulfanylphenyl)-(furan-3-yl)methanamine?
(4-ethylsulfanylphenyl)-(furan-3-yl)methanamine has a molecular weight of 233.34 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylsulfanylphenyl)-(furan-3-yl)methanamine is sourced from PubChem (CID 106848700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).