[5-[[furan-3-ylmethyl(methyl)amino]methyl]thiophen-2-yl]methanamine

C12H16N2OS — CID 107556500

IUPAC[5-[[furan-3-ylmethyl(methyl)amino]methyl]thiophen-2-yl]methanamine
SMILESCN(Cc1ccoc1)Cc1ccc(CN)s1
InChIInChI=1S/C12H16N2OS/c1-14(7-10-4-5-15-9-10)8-12-3-2-11(6-13)16-12/h2-5,9H,6-8,13H2,1H3
InChIKeyCDSCXBQWZIAUQV-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.43
Rot. Bonds5

About [5-[[furan-3-ylmethyl(methyl)amino]methyl]thiophen-2-yl]methanamine

[5-[[furan-3-ylmethyl(methyl)amino]methyl]thiophen-2-yl]methanamine (PubChem CID 107556500) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is [5-[[furan-3-ylmethyl(methyl)amino]methyl]thiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-[[furan-3-ylmethyl(methyl)amino]methyl]thiophen-2-yl]methanamine
PubChem CID107556500
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name[5-[[furan-3-ylmethyl(methyl)amino]methyl]thiophen-2-yl]methanamine
SMILESCN(Cc1ccoc1)Cc1ccc(CN)s1
InChIInChI=1S/C12H16N2OS/c1-14(7-10-4-5-15-9-10)8-12-3-2-11(6-13)16-12/h2-5,9H,6-8,13H2,1H3
InChIKeyCDSCXBQWZIAUQV-UHFFFAOYSA-N
XLogP2.43
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-[[furan-3-ylmethyl(methyl)amino]methyl]thiophen-2-yl]methanamine with MolForge

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Related Compounds

2-methyl-N-(thiophen-2-ylmethyl)furan-3-carboxamide
CID 896042
N-[2-(furan-2-yl)ethyl]-3-methylthiophene-2-carboxamide
CID 9404152
N-(3-furylmethyl)-5-[1-(tetrahydro-2H-pyran-4-ylmethyl)-2-pyrrolidinyl]-2-thiophenecarboxamide
CID 45233422
N-(3-furylmethyl)-5-(1-glycyl-2-pyrrolidinyl)-2-thiophenecarboxamide
CID 45252512
N1-((2,5-dimethylfuran-3-yl)methyl)-N2-(thiophen-2-ylmethyl)oxalamide
CID 56765602
N-(furan-3-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 67315547
N-((5-Fluorothiophen-2-yl)methyl)-2-(furan-2-yl)ethanamine
CID 50896528
2-(2-fluorophenyl)sulfanyl-N-(furan-3-ylmethyl)ethanamine
CID 55092568
[4-Fluoro-3-[[furan-3-ylmethyl(methyl)amino]methyl]-1-benzothiophen-2-yl]methanamine
CID 62461127
2-(4-fluorophenyl)sulfanyl-N-(furan-3-ylmethyl)ethanamine
CID 62584468
3-(4-Fluorobenzyl)-1-(furan-3-ylmethyl)-1-(thiophen-2-ylmethyl)urea
CID 71804136
3-(4-Fluorobenzyl)-1-(furan-3-ylmethyl)-1-(2-(thiophen-2-yl)ethyl)urea
CID 71804225

Frequently Asked Questions

What is the IUPAC name of [5-[[furan-3-ylmethyl(methyl)amino]methyl]thiophen-2-yl]methanamine?
The IUPAC name of [5-[[furan-3-ylmethyl(methyl)amino]methyl]thiophen-2-yl]methanamine (CID 107556500) is [5-[[furan-3-ylmethyl(methyl)amino]methyl]thiophen-2-yl]methanamine.
What is the SMILES notation for [5-[[furan-3-ylmethyl(methyl)amino]methyl]thiophen-2-yl]methanamine?
The canonical SMILES for [5-[[furan-3-ylmethyl(methyl)amino]methyl]thiophen-2-yl]methanamine is CN(Cc1ccoc1)Cc1ccc(CN)s1.
What is the InChIKey of [5-[[furan-3-ylmethyl(methyl)amino]methyl]thiophen-2-yl]methanamine?
The InChIKey is CDSCXBQWZIAUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-14(7-10-4-5-15-9-10)8-12-3-2-11(6-13)16-12/h2-5,9H,6-8,13H2,1H3.
What are the key properties of [5-[[furan-3-ylmethyl(methyl)amino]methyl]thiophen-2-yl]methanamine?
[5-[[furan-3-ylmethyl(methyl)amino]methyl]thiophen-2-yl]methanamine has a molecular weight of 236.34 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[furan-3-ylmethyl(methyl)amino]methyl]thiophen-2-yl]methanamine is sourced from PubChem (CID 107556500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).