1-(2,5-dimethylfuran-3-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine

C13H17NOS — CID 115627578

IUPAC1-(2,5-dimethylfuran-3-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
SMILESCc1cc(CNCc2sccc2C)c(C)o1
InChIInChI=1S/C13H17NOS/c1-9-4-5-16-13(9)8-14-7-12-6-10(2)15-11(12)3/h4-6,14H,7-8H2,1-3H3
InChIKeyDPOFSXJLTFZAPO-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.56
Rot. Bonds4

About 1-(2,5-dimethylfuran-3-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine

1-(2,5-dimethylfuran-3-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine (PubChem CID 115627578) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-(2,5-dimethylfuran-3-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,5-dimethylfuran-3-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
PubChem CID115627578
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC Name1-(2,5-dimethylfuran-3-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
SMILESCc1cc(CNCc2sccc2C)c(C)o1
InChIInChI=1S/C13H17NOS/c1-9-4-5-16-13(9)8-14-7-12-6-10(2)15-11(12)3/h4-6,14H,7-8H2,1-3H3
InChIKeyDPOFSXJLTFZAPO-UHFFFAOYSA-N
XLogP3.56
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]furan-3-carboxamide
CID 32986981
1-(5-chlorofuran-2-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 78911556
1-(5-bromothiophen-2-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]methanamine
CID 115627577
1-(2-bromo-4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 78971593
1-(3,5-dichlorophenyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 113225343
1-(2,5-dimethylfuran-3-yl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 115876700
2,4-dichloro-6-[[(3-methylthiophen-2-yl)methylamino]methyl]phenol
CID 78916524
1-(4-ethoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 113221923
1-(2,5-dimethylfuran-3-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine
CID 115876377
2-[(3-methylthiophen-2-yl)methylamino]acetaldehyde
CID 115223017
1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 43163687
N-[(3-methylthiophen-2-yl)methyl]-1-thiophen-3-ylmethanamine
CID 60744110

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylfuran-3-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine?
The IUPAC name of 1-(2,5-dimethylfuran-3-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine (CID 115627578) is 1-(2,5-dimethylfuran-3-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(2,5-dimethylfuran-3-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine?
The canonical SMILES for 1-(2,5-dimethylfuran-3-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine is Cc1cc(CNCc2sccc2C)c(C)o1.
What is the InChIKey of 1-(2,5-dimethylfuran-3-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine?
The InChIKey is DPOFSXJLTFZAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c1-9-4-5-16-13(9)8-14-7-12-6-10(2)15-11(12)3/h4-6,14H,7-8H2,1-3H3.
What are the key properties of 1-(2,5-dimethylfuran-3-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine?
1-(2,5-dimethylfuran-3-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine has a molecular weight of 235.35 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylfuran-3-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine is sourced from PubChem (CID 115627578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).