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

C13H17NOS — CID 43488099

IUPACN-[(3-methylfuran-2-yl)-(5-methylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(C)s1)c1occc1C
InChIInChI=1S/C13H17NOS/c1-4-14-12(11-6-5-10(3)16-11)13-9(2)7-8-15-13/h5-8,12,14H,4H2,1-3H3
InChIKeyXICDTURYCQLJOH-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.66
Rot. Bonds4

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

N-[(3-methylfuran-2-yl)-(5-methylthiophen-2-yl)methyl]ethanamine (PubChem CID 43488099) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is N-[(3-methylfuran-2-yl)-(5-methylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-methylfuran-2-yl)-(5-methylthiophen-2-yl)methyl]ethanamine
PubChem CID43488099
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC NameN-[(3-methylfuran-2-yl)-(5-methylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(C)s1)c1occc1C
InChIInChI=1S/C13H17NOS/c1-4-14-12(11-6-5-10(3)16-11)13-9(2)7-8-15-13/h5-8,12,14H,4H2,1-3H3
InChIKeyXICDTURYCQLJOH-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[furan-3-yl-(5-methylthiophen-2-yl)methyl]ethanamine
CID 43488095
1-(3-methylfuran-2-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 115867921
N-[(3-bromofuran-2-yl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 115861355
N-ethyl-1-(3-methylfuran-2-yl)propan-1-amine
CID 104805164
N-[(3-methylfuran-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 104805386
N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 24705103
N-[cyclohexen-1-yl-(3-methylfuran-2-yl)methyl]ethanamine
CID 62078327
N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(5-methylthiophen-2-yl)methyl]ethanamine
CID 61347365
N-[(5-methylthiophen-2-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine
CID 61347366
N-ethyl-1-(3-methylfuran-2-yl)prop-2-yn-1-amine
CID 104805469
N-[(3-methylfuran-2-yl)-(2-propan-2-ylpyrazol-3-yl)methyl]ethanamine
CID 114197719
N-[(3-methylfuran-2-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43492376

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylfuran-2-yl)-(5-methylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[(3-methylfuran-2-yl)-(5-methylthiophen-2-yl)methyl]ethanamine (CID 43488099) is N-[(3-methylfuran-2-yl)-(5-methylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-methylfuran-2-yl)-(5-methylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-methylfuran-2-yl)-(5-methylthiophen-2-yl)methyl]ethanamine is CCNC(c1ccc(C)s1)c1occc1C.
What is the InChIKey of N-[(3-methylfuran-2-yl)-(5-methylthiophen-2-yl)methyl]ethanamine?
The InChIKey is XICDTURYCQLJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c1-4-14-12(11-6-5-10(3)16-11)13-9(2)7-8-15-13/h5-8,12,14H,4H2,1-3H3.
What are the key properties of N-[(3-methylfuran-2-yl)-(5-methylthiophen-2-yl)methyl]ethanamine?
N-[(3-methylfuran-2-yl)-(5-methylthiophen-2-yl)methyl]ethanamine has a molecular weight of 235.35 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylfuran-2-yl)-(5-methylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 43488099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).