N-methyl-1-[5-[[methyl(thiophen-2-ylmethyl)amino]methyl]furan-3-yl]methanamine

C13H18N2OS — CID 62422100

IUPACN-methyl-1-[5-[[methyl(thiophen-2-ylmethyl)amino]methyl]furan-3-yl]methanamine
SMILESCNCc1coc(CN(C)Cc2cccs2)c1
InChIInChI=1S/C13H18N2OS/c1-14-7-11-6-12(16-10-11)8-15(2)9-13-4-3-5-17-13/h3-6,10,14H,7-9H2,1-2H3
InChIKeyHZJUVCGUCBKESM-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.69
Rot. Bonds6

About N-methyl-1-[5-[[methyl(thiophen-2-ylmethyl)amino]methyl]furan-3-yl]methanamine

N-methyl-1-[5-[[methyl(thiophen-2-ylmethyl)amino]methyl]furan-3-yl]methanamine (PubChem CID 62422100) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is N-methyl-1-[5-[[methyl(thiophen-2-ylmethyl)amino]methyl]furan-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-[[methyl(thiophen-2-ylmethyl)amino]methyl]furan-3-yl]methanamine
PubChem CID62422100
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC NameN-methyl-1-[5-[[methyl(thiophen-2-ylmethyl)amino]methyl]furan-3-yl]methanamine
SMILESCNCc1coc(CN(C)Cc2cccs2)c1
InChIInChI=1S/C13H18N2OS/c1-14-7-11-6-12(16-10-11)8-15(2)9-13-4-3-5-17-13/h3-6,10,14H,7-9H2,1-2H3
InChIKeyHZJUVCGUCBKESM-UHFFFAOYSA-N
XLogP2.69
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[[furan-3-ylmethyl(methyl)amino]methyl]furan-3-yl]-N-methylmethanamine
CID 62462911
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-2-thiophen-2-ylethanamine
CID 79494864
N-methyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]butan-2-amine
CID 62419547
N,3-dimethyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]aniline
CID 62436032
2-methyl-N-[[5-[[methyl(1-thiophen-2-ylethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 62431007
1-(3-bromophenyl)-N-methyl-N-(thiophen-2-ylmethyl)methanamine
CID 60646316
N-[[4-(aminomethyl)furan-2-yl]methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine
CID 79485851
3-chloro-N-methyl-5-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 55054537
N-methyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]-1-(oxan-2-yl)methanamine
CID 62431538
N-[[5-(2-thiophen-2-ylethoxymethyl)furan-3-yl]methyl]ethanamine
CID 62486002
N-[[5-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62420414
N-[[5-[[methyl(pyridin-4-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 62433273

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-[[methyl(thiophen-2-ylmethyl)amino]methyl]furan-3-yl]methanamine?
The IUPAC name of N-methyl-1-[5-[[methyl(thiophen-2-ylmethyl)amino]methyl]furan-3-yl]methanamine (CID 62422100) is N-methyl-1-[5-[[methyl(thiophen-2-ylmethyl)amino]methyl]furan-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-[[methyl(thiophen-2-ylmethyl)amino]methyl]furan-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-[[methyl(thiophen-2-ylmethyl)amino]methyl]furan-3-yl]methanamine is CNCc1coc(CN(C)Cc2cccs2)c1.
What is the InChIKey of N-methyl-1-[5-[[methyl(thiophen-2-ylmethyl)amino]methyl]furan-3-yl]methanamine?
The InChIKey is HZJUVCGUCBKESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-14-7-11-6-12(16-10-11)8-15(2)9-13-4-3-5-17-13/h3-6,10,14H,7-9H2,1-2H3.
What are the key properties of N-methyl-1-[5-[[methyl(thiophen-2-ylmethyl)amino]methyl]furan-3-yl]methanamine?
N-methyl-1-[5-[[methyl(thiophen-2-ylmethyl)amino]methyl]furan-3-yl]methanamine has a molecular weight of 250.37 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-[[methyl(thiophen-2-ylmethyl)amino]methyl]furan-3-yl]methanamine is sourced from PubChem (CID 62422100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).