1-(furan-2-yl)-N-[(4-methoxythiophen-2-yl)methyl]methanamine

C11H13NO2S — CID 81121557

IUPAC1-(furan-2-yl)-N-[(4-methoxythiophen-2-yl)methyl]methanamine
SMILESCOc1csc(CNCc2ccco2)c1
InChIInChI=1S/C11H13NO2S/c1-13-10-5-11(15-8-10)7-12-6-9-3-2-4-14-9/h2-5,8,12H,6-7H2,1H3
InChIKeyXKKHXIAHEWCEPK-UHFFFAOYSA-N
MW223.30 g/mol
LogP2.64
Rot. Bonds5

About 1-(furan-2-yl)-N-[(4-methoxythiophen-2-yl)methyl]methanamine

1-(furan-2-yl)-N-[(4-methoxythiophen-2-yl)methyl]methanamine (PubChem CID 81121557) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-[(4-methoxythiophen-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-[(4-methoxythiophen-2-yl)methyl]methanamine
PubChem CID81121557
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name1-(furan-2-yl)-N-[(4-methoxythiophen-2-yl)methyl]methanamine
SMILESCOc1csc(CNCc2ccco2)c1
InChIInChI=1S/C11H13NO2S/c1-13-10-5-11(15-8-10)7-12-6-9-3-2-4-14-9/h2-5,8,12H,6-7H2,1H3
InChIKeyXKKHXIAHEWCEPK-UHFFFAOYSA-N
XLogP2.64
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-2-(4-methoxyphenoxy)ethanamine
CID 2299658
1-(furan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine
CID 4723153
N-[(5-ethylthiophen-2-yl)methyl]-1-(furan-2-yl)methanamine
CID 28586498
N-(furan-2-ylmethyl)-1-[3-(methoxymethyl)phenyl]methanamine
CID 54893676
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(furan-2-yl)methanamine
CID 43552093
4-[(furan-2-ylmethylamino)methyl]-2,6-dimethoxyphenol;hydrochloride
CID 24746812
N-[(2,6-dimethylphenyl)methyl]-1-(furan-2-yl)methanamine
CID 81327593
2-(2-bromo-4-methoxyphenoxy)-N-(furan-2-ylmethyl)ethanamine
CID 104708522
1-(furan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine;hydrochloride
CID 6462424
N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-(furan-2-yl)methanamine
CID 4723222
N-(furan-2-ylmethyl)-5-methoxy-2-methylaniline
CID 115743618
N-[(4-chlorothiophen-2-yl)methyl]-3-(furan-2-ylmethoxy)propan-1-amine
CID 79420297

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-[(4-methoxythiophen-2-yl)methyl]methanamine?
The IUPAC name of 1-(furan-2-yl)-N-[(4-methoxythiophen-2-yl)methyl]methanamine (CID 81121557) is 1-(furan-2-yl)-N-[(4-methoxythiophen-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(furan-2-yl)-N-[(4-methoxythiophen-2-yl)methyl]methanamine?
The canonical SMILES for 1-(furan-2-yl)-N-[(4-methoxythiophen-2-yl)methyl]methanamine is COc1csc(CNCc2ccco2)c1.
What is the InChIKey of 1-(furan-2-yl)-N-[(4-methoxythiophen-2-yl)methyl]methanamine?
The InChIKey is XKKHXIAHEWCEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c1-13-10-5-11(15-8-10)7-12-6-9-3-2-4-14-9/h2-5,8,12H,6-7H2,1H3.
What are the key properties of 1-(furan-2-yl)-N-[(4-methoxythiophen-2-yl)methyl]methanamine?
1-(furan-2-yl)-N-[(4-methoxythiophen-2-yl)methyl]methanamine has a molecular weight of 223.30 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-[(4-methoxythiophen-2-yl)methyl]methanamine is sourced from PubChem (CID 81121557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).