N-(furan-2-ylmethyl)-1-(4-methylsulfanylphenyl)methanamine

C13H15NOS — CID 1090541

IUPACN-(furan-2-ylmethyl)-1-(4-methylsulfanylphenyl)methanamine
SMILESCSc1ccc(CNCc2ccco2)cc1
InChIInChI=1S/C13H15NOS/c1-16-13-6-4-11(5-7-13)9-14-10-12-3-2-8-15-12/h2-8,14H,9-10H2,1H3
InChIKeyGVNAUQHIPWUMLP-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.29
Rot. Bonds5

About N-(furan-2-ylmethyl)-1-(4-methylsulfanylphenyl)methanamine

N-(furan-2-ylmethyl)-1-(4-methylsulfanylphenyl)methanamine (PubChem CID 1090541) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-(4-methylsulfanylphenyl)methanamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-(4-methylsulfanylphenyl)methanamine
PubChem CID1090541
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC NameN-(furan-2-ylmethyl)-1-(4-methylsulfanylphenyl)methanamine
SMILESCSc1ccc(CNCc2ccco2)cc1
InChIInChI=1S/C13H15NOS/c1-16-13-6-4-11(5-7-13)9-14-10-12-3-2-8-15-12/h2-8,14H,9-10H2,1H3
InChIKeyGVNAUQHIPWUMLP-UHFFFAOYSA-N
XLogP3.29
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-(4-methylsulfanylphenyl)methanamine?
The IUPAC name of N-(furan-2-ylmethyl)-1-(4-methylsulfanylphenyl)methanamine (CID 1090541) is N-(furan-2-ylmethyl)-1-(4-methylsulfanylphenyl)methanamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-(4-methylsulfanylphenyl)methanamine?
The canonical SMILES for N-(furan-2-ylmethyl)-1-(4-methylsulfanylphenyl)methanamine is CSc1ccc(CNCc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-(4-methylsulfanylphenyl)methanamine?
The InChIKey is GVNAUQHIPWUMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-16-13-6-4-11(5-7-13)9-14-10-12-3-2-8-15-12/h2-8,14H,9-10H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-1-(4-methylsulfanylphenyl)methanamine?
N-(furan-2-ylmethyl)-1-(4-methylsulfanylphenyl)methanamine has a molecular weight of 233.34 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-(4-methylsulfanylphenyl)methanamine is sourced from PubChem (CID 1090541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).