1-(5-methylfuran-2-yl)-N-[(4-phenylthiophen-2-yl)methyl]ethanamine

C18H19NOS — CID 61017877

IUPAC1-(5-methylfuran-2-yl)-N-[(4-phenylthiophen-2-yl)methyl]ethanamine
SMILESCc1ccc(C(C)NCc2cc(-c3ccccc3)cs2)o1
InChIInChI=1S/C18H19NOS/c1-13-8-9-18(20-13)14(2)19-11-17-10-16(12-21-17)15-6-4-3-5-7-15/h3-10,12,14,19H,11H2,1-2H3
InChIKeyOKVMYJPJINXDSC-UHFFFAOYSA-N
MW297.42 g/mol
LogP5.17
Rot. Bonds5

About 1-(5-methylfuran-2-yl)-N-[(4-phenylthiophen-2-yl)methyl]ethanamine

1-(5-methylfuran-2-yl)-N-[(4-phenylthiophen-2-yl)methyl]ethanamine (PubChem CID 61017877) has the molecular formula C18H19NOS and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-N-[(4-phenylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-N-[(4-phenylthiophen-2-yl)methyl]ethanamine
PubChem CID61017877
Molecular FormulaC18H19NOS
Molecular Weight297.42 g/mol
Exact Mass297.12
IUPAC Name1-(5-methylfuran-2-yl)-N-[(4-phenylthiophen-2-yl)methyl]ethanamine
SMILESCc1ccc(C(C)NCc2cc(-c3ccccc3)cs2)o1
InChIInChI=1S/C18H19NOS/c1-13-8-9-18(20-13)14(2)19-11-17-10-16(12-21-17)15-6-4-3-5-7-15/h3-10,12,14,19H,11H2,1-2H3
InChIKeyOKVMYJPJINXDSC-UHFFFAOYSA-N
XLogP5.17
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.42
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)-N-[(4-phenylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 1-(5-methylfuran-2-yl)-N-[(4-phenylthiophen-2-yl)methyl]ethanamine (CID 61017877) is 1-(5-methylfuran-2-yl)-N-[(4-phenylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-N-[(4-phenylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(5-methylfuran-2-yl)-N-[(4-phenylthiophen-2-yl)methyl]ethanamine is Cc1ccc(C(C)NCc2cc(-c3ccccc3)cs2)o1.
What is the InChIKey of 1-(5-methylfuran-2-yl)-N-[(4-phenylthiophen-2-yl)methyl]ethanamine?
The InChIKey is OKVMYJPJINXDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NOS/c1-13-8-9-18(20-13)14(2)19-11-17-10-16(12-21-17)15-6-4-3-5-7-15/h3-10,12,14,19H,11H2,1-2H3.
What are the key properties of 1-(5-methylfuran-2-yl)-N-[(4-phenylthiophen-2-yl)methyl]ethanamine?
1-(5-methylfuran-2-yl)-N-[(4-phenylthiophen-2-yl)methyl]ethanamine has a molecular weight of 297.42 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)-N-[(4-phenylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 61017877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).