1-(3,5-dimethylthiophen-2-yl)-N-methyl-1-(5-methylfuran-2-yl)methanamine

C13H17NOS — CID 81155754

IUPAC1-(3,5-dimethylthiophen-2-yl)-N-methyl-1-(5-methylfuran-2-yl)methanamine
SMILESCNC(c1ccc(C)o1)c1sc(C)cc1C
InChIInChI=1S/C13H17NOS/c1-8-7-10(3)16-13(8)12(14-4)11-6-5-9(2)15-11/h5-7,12,14H,1-4H3
InChIKeyFXNSJMSYPHVKMZ-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.58
Rot. Bonds3

About 1-(3,5-dimethylthiophen-2-yl)-N-methyl-1-(5-methylfuran-2-yl)methanamine

1-(3,5-dimethylthiophen-2-yl)-N-methyl-1-(5-methylfuran-2-yl)methanamine (PubChem CID 81155754) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-(3,5-dimethylthiophen-2-yl)-N-methyl-1-(5-methylfuran-2-yl)methanamine.

Molecular Properties

Compound Name1-(3,5-dimethylthiophen-2-yl)-N-methyl-1-(5-methylfuran-2-yl)methanamine
PubChem CID81155754
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC Name1-(3,5-dimethylthiophen-2-yl)-N-methyl-1-(5-methylfuran-2-yl)methanamine
SMILESCNC(c1ccc(C)o1)c1sc(C)cc1C
InChIInChI=1S/C13H17NOS/c1-8-7-10(3)16-13(8)12(14-4)11-6-5-9(2)15-11/h5-7,12,14H,1-4H3
InChIKeyFXNSJMSYPHVKMZ-UHFFFAOYSA-N
XLogP3.58
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine
CID 81155894
1-(2,4-dimethoxyphenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine
CID 81156413
1-(5-bromothiophen-3-yl)-N-methyl-1-(5-methylfuran-2-yl)methanamine
CID 107960898
1-(3,4-dichlorophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine
CID 81155759
1-(2-bromo-3-methylphenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine
CID 114023801
N-[(3,5-dimethylthiophen-2-yl)-(5-ethylfuran-2-yl)methyl]propan-1-amine
CID 81156942
N-methyl-1-(5-methylfuran-2-yl)-1-phenylmethanamine
CID 43481483
N-methyl-1-(5-methylfuran-2-yl)-1-thiophen-2-ylmethanamine
CID 43483383
1-(4-bromo-3-fluorophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine
CID 81157270
1-(3,5-dimethylthiophen-2-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 81163519
N-methyl-1-(5-methylfuran-2-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 43480600
1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine
CID 43487598

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylthiophen-2-yl)-N-methyl-1-(5-methylfuran-2-yl)methanamine?
The IUPAC name of 1-(3,5-dimethylthiophen-2-yl)-N-methyl-1-(5-methylfuran-2-yl)methanamine (CID 81155754) is 1-(3,5-dimethylthiophen-2-yl)-N-methyl-1-(5-methylfuran-2-yl)methanamine.
What is the SMILES notation for 1-(3,5-dimethylthiophen-2-yl)-N-methyl-1-(5-methylfuran-2-yl)methanamine?
The canonical SMILES for 1-(3,5-dimethylthiophen-2-yl)-N-methyl-1-(5-methylfuran-2-yl)methanamine is CNC(c1ccc(C)o1)c1sc(C)cc1C.
What is the InChIKey of 1-(3,5-dimethylthiophen-2-yl)-N-methyl-1-(5-methylfuran-2-yl)methanamine?
The InChIKey is FXNSJMSYPHVKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c1-8-7-10(3)16-13(8)12(14-4)11-6-5-9(2)15-11/h5-7,12,14H,1-4H3.
What are the key properties of 1-(3,5-dimethylthiophen-2-yl)-N-methyl-1-(5-methylfuran-2-yl)methanamine?
1-(3,5-dimethylthiophen-2-yl)-N-methyl-1-(5-methylfuran-2-yl)methanamine has a molecular weight of 235.35 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylthiophen-2-yl)-N-methyl-1-(5-methylfuran-2-yl)methanamine is sourced from PubChem (CID 81155754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).