1-[5-(methoxymethyl)furan-2-yl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine

C13H17NO3S — CID 113461762

IUPAC1-[5-(methoxymethyl)furan-2-yl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1ccc(COC)o1)c1sccc1OC
InChIInChI=1S/C13H17NO3S/c1-14-12(13-11(16-3)6-7-18-13)10-5-4-9(17-10)8-15-2/h4-7,12,14H,8H2,1-3H3
InChIKeyLDDOKBLWYZHILL-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.80
Rot. Bonds6

About 1-[5-(methoxymethyl)furan-2-yl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine

1-[5-(methoxymethyl)furan-2-yl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine (PubChem CID 113461762) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 1-[5-(methoxymethyl)furan-2-yl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(methoxymethyl)furan-2-yl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
PubChem CID113461762
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name1-[5-(methoxymethyl)furan-2-yl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1ccc(COC)o1)c1sccc1OC
InChIInChI=1S/C13H17NO3S/c1-14-12(13-11(16-3)6-7-18-13)10-5-4-9(17-10)8-15-2/h4-7,12,14H,8H2,1-3H3
InChIKeyLDDOKBLWYZHILL-UHFFFAOYSA-N
XLogP2.80
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-ethylfuran-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 62345160
1-(5-ethylthiophen-2-yl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 81127074
1-[4-(2-methoxyethyl)phenyl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 81127265
1-(5-fluoro-2-methoxyphenyl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 81127081
1-(3-methoxythiophen-2-yl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 81126556
1-(3-methoxythiophen-2-yl)-N-methyl-1-(2-methylphenyl)methanamine
CID 115794755
1-[2-(2-methoxyethoxy)phenyl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 105035272
1-(3-methoxythiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 115853851
1-(5-bromo-2-methoxy-4-methylphenyl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 81122988
1-(2-methoxy-3,4-dimethylphenyl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 103435556
1-(4-methoxy-2-methylphenyl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 81127903
1-(2,5-dichlorothiophen-3-yl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 81127998

Frequently Asked Questions

What is the IUPAC name of 1-[5-(methoxymethyl)furan-2-yl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-[5-(methoxymethyl)furan-2-yl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine (CID 113461762) is 1-[5-(methoxymethyl)furan-2-yl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-[5-(methoxymethyl)furan-2-yl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-[5-(methoxymethyl)furan-2-yl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine is CNC(c1ccc(COC)o1)c1sccc1OC.
What is the InChIKey of 1-[5-(methoxymethyl)furan-2-yl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine?
The InChIKey is LDDOKBLWYZHILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-14-12(13-11(16-3)6-7-18-13)10-5-4-9(17-10)8-15-2/h4-7,12,14H,8H2,1-3H3.
What are the key properties of 1-[5-(methoxymethyl)furan-2-yl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine?
1-[5-(methoxymethyl)furan-2-yl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine has a molecular weight of 267.35 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(methoxymethyl)furan-2-yl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 113461762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).