1-methoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-2-amine

C13H17NOS2 — CID 43433606

IUPAC1-methoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-2-amine
SMILESCOCC(C)NCc1cc(-c2cccs2)cs1
InChIInChI=1S/C13H17NOS2/c1-10(8-15-2)14-7-12-6-11(9-17-12)13-4-3-5-16-13/h3-6,9-10,14H,7-8H2,1-2H3
InChIKeyNPTZNECQCUAQCQ-UHFFFAOYSA-N
MW267.42 g/mol
LogP3.60
Rot. Bonds6

About 1-methoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-2-amine

1-methoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-2-amine (PubChem CID 43433606) has the molecular formula C13H17NOS2 and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-methoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-2-amine
PubChem CID43433606
Molecular FormulaC13H17NOS2
Molecular Weight267.42 g/mol
Exact Mass267.08
IUPAC Name1-methoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-2-amine
SMILESCOCC(C)NCc1cc(-c2cccs2)cs1
InChIInChI=1S/C13H17NOS2/c1-10(8-15-2)14-7-12-6-11(9-17-12)13-4-3-5-16-13/h3-6,9-10,14H,7-8H2,1-2H3
InChIKeyNPTZNECQCUAQCQ-UHFFFAOYSA-N
XLogP3.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-2-amine?
The IUPAC name of 1-methoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-2-amine (CID 43433606) is 1-methoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-methoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-2-amine?
The canonical SMILES for 1-methoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-2-amine is COCC(C)NCc1cc(-c2cccs2)cs1.
What is the InChIKey of 1-methoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-2-amine?
The InChIKey is NPTZNECQCUAQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS2/c1-10(8-15-2)14-7-12-6-11(9-17-12)13-4-3-5-16-13/h3-6,9-10,14H,7-8H2,1-2H3.
What are the key properties of 1-methoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-2-amine?
1-methoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-2-amine has a molecular weight of 267.42 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 43433606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).