(1-ethylimidazol-2-yl)-(3-methoxythiophen-2-yl)methanamine

C11H15N3OS — CID 81124131

IUPAC(1-ethylimidazol-2-yl)-(3-methoxythiophen-2-yl)methanamine
SMILESCCn1ccnc1C(N)c1sccc1OC
InChIInChI=1S/C11H15N3OS/c1-3-14-6-5-13-11(14)9(12)10-8(15-2)4-7-16-10/h4-7,9H,3,12H2,1-2H3
InChIKeyOURYIHVHCABCED-UHFFFAOYSA-N
MW237.33 g/mol
LogP2.02
Rot. Bonds4

About (1-ethylimidazol-2-yl)-(3-methoxythiophen-2-yl)methanamine

(1-ethylimidazol-2-yl)-(3-methoxythiophen-2-yl)methanamine (PubChem CID 81124131) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is (1-ethylimidazol-2-yl)-(3-methoxythiophen-2-yl)methanamine.

Molecular Properties

Compound Name(1-ethylimidazol-2-yl)-(3-methoxythiophen-2-yl)methanamine
PubChem CID81124131
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name(1-ethylimidazol-2-yl)-(3-methoxythiophen-2-yl)methanamine
SMILESCCn1ccnc1C(N)c1sccc1OC
InChIInChI=1S/C11H15N3OS/c1-3-14-6-5-13-11(14)9(12)10-8(15-2)4-7-16-10/h4-7,9H,3,12H2,1-2H3
InChIKeyOURYIHVHCABCED-UHFFFAOYSA-N
XLogP2.02
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-ethylimidazol-2-yl)-(3-methoxythiophen-2-yl)methanamine?
The IUPAC name of (1-ethylimidazol-2-yl)-(3-methoxythiophen-2-yl)methanamine (CID 81124131) is (1-ethylimidazol-2-yl)-(3-methoxythiophen-2-yl)methanamine.
What is the SMILES notation for (1-ethylimidazol-2-yl)-(3-methoxythiophen-2-yl)methanamine?
The canonical SMILES for (1-ethylimidazol-2-yl)-(3-methoxythiophen-2-yl)methanamine is CCn1ccnc1C(N)c1sccc1OC.
What is the InChIKey of (1-ethylimidazol-2-yl)-(3-methoxythiophen-2-yl)methanamine?
The InChIKey is OURYIHVHCABCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-3-14-6-5-13-11(14)9(12)10-8(15-2)4-7-16-10/h4-7,9H,3,12H2,1-2H3.
What are the key properties of (1-ethylimidazol-2-yl)-(3-methoxythiophen-2-yl)methanamine?
(1-ethylimidazol-2-yl)-(3-methoxythiophen-2-yl)methanamine has a molecular weight of 237.33 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylimidazol-2-yl)-(3-methoxythiophen-2-yl)methanamine is sourced from PubChem (CID 81124131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).