1-(3-methylfuran-2-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine

C13H17NOS — CID 115867921

IUPAC1-(3-methylfuran-2-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
SMILESCc1ccc(CNC(C)c2occc2C)s1
InChIInChI=1S/C13H17NOS/c1-9-6-7-15-13(9)11(3)14-8-12-5-4-10(2)16-12/h4-7,11,14H,8H2,1-3H3
InChIKeyCSIIXIYHPXLEEI-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.81
Rot. Bonds4

About 1-(3-methylfuran-2-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine

1-(3-methylfuran-2-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine (PubChem CID 115867921) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-(3-methylfuran-2-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3-methylfuran-2-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
PubChem CID115867921
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC Name1-(3-methylfuran-2-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
SMILESCc1ccc(CNC(C)c2occc2C)s1
InChIInChI=1S/C13H17NOS/c1-9-6-7-15-13(9)11(3)14-8-12-5-4-10(2)16-12/h4-7,11,14H,8H2,1-3H3
InChIKeyCSIIXIYHPXLEEI-UHFFFAOYSA-N
XLogP3.81
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methylthiophen-2-yl)methyl]-1-phenylethanamine
CID 4715520
(1R)-N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 28644855
1-(4-bromophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 60663960
N-[(3-methylfuran-2-yl)-(5-methylthiophen-2-yl)methyl]ethanamine
CID 43488099
3,3,3-trifluoro-N-[1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 115892146
(2R)-4-methyl-1-[[(1R)-1-(3-methylfuran-2-yl)ethyl]amino]pentan-2-ol
CID 97101602
4-[1-[(5-methylthiophen-2-yl)methylamino]ethyl]benzene-1,3-diol
CID 55029885
(1R)-1-(4-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 81370537
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 55149649
N-(2-cyclopropylethyl)-1-(3-methylfuran-2-yl)ethanamine
CID 115892086
1-(4-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 62048402
1-(2,5-dichlorothiophen-3-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 103777773

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylfuran-2-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 1-(3-methylfuran-2-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine (CID 115867921) is 1-(3-methylfuran-2-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(3-methylfuran-2-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(3-methylfuran-2-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine is Cc1ccc(CNC(C)c2occc2C)s1.
What is the InChIKey of 1-(3-methylfuran-2-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The InChIKey is CSIIXIYHPXLEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c1-9-6-7-15-13(9)11(3)14-8-12-5-4-10(2)16-12/h4-7,11,14H,8H2,1-3H3.
What are the key properties of 1-(3-methylfuran-2-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
1-(3-methylfuran-2-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine has a molecular weight of 235.35 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylfuran-2-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 115867921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).