2-[5-(4-propan-2-yloxyphenyl)thiophen-2-yl]ethanamine

C15H19NOS — CID 94274161

IUPAC2-[5-(4-propan-2-yloxyphenyl)thiophen-2-yl]ethanamine
SMILESCC(C)Oc1ccc(-c2ccc(CCN)s2)cc1
InChIInChI=1S/C15H19NOS/c1-11(2)17-13-5-3-12(4-6-13)15-8-7-14(18-15)9-10-16/h3-8,11H,9-10,16H2,1-2H3
InChIKeyIWSBJSZNFKLUQH-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.70
Rot. Bonds5

About 2-[5-(4-propan-2-yloxyphenyl)thiophen-2-yl]ethanamine

2-[5-(4-propan-2-yloxyphenyl)thiophen-2-yl]ethanamine (PubChem CID 94274161) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 2-[5-(4-propan-2-yloxyphenyl)thiophen-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(4-propan-2-yloxyphenyl)thiophen-2-yl]ethanamine
PubChem CID94274161
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name2-[5-(4-propan-2-yloxyphenyl)thiophen-2-yl]ethanamine
SMILESCC(C)Oc1ccc(-c2ccc(CCN)s2)cc1
InChIInChI=1S/C15H19NOS/c1-11(2)17-13-5-3-12(4-6-13)15-8-7-14(18-15)9-10-16/h3-8,11H,9-10,16H2,1-2H3
InChIKeyIWSBJSZNFKLUQH-UHFFFAOYSA-N
XLogP3.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-propan-2-yloxyphenyl)thiophen-2-yl]ethanamine?
The IUPAC name of 2-[5-(4-propan-2-yloxyphenyl)thiophen-2-yl]ethanamine (CID 94274161) is 2-[5-(4-propan-2-yloxyphenyl)thiophen-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(4-propan-2-yloxyphenyl)thiophen-2-yl]ethanamine?
The canonical SMILES for 2-[5-(4-propan-2-yloxyphenyl)thiophen-2-yl]ethanamine is CC(C)Oc1ccc(-c2ccc(CCN)s2)cc1.
What is the InChIKey of 2-[5-(4-propan-2-yloxyphenyl)thiophen-2-yl]ethanamine?
The InChIKey is IWSBJSZNFKLUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-11(2)17-13-5-3-12(4-6-13)15-8-7-14(18-15)9-10-16/h3-8,11H,9-10,16H2,1-2H3.
What are the key properties of 2-[5-(4-propan-2-yloxyphenyl)thiophen-2-yl]ethanamine?
2-[5-(4-propan-2-yloxyphenyl)thiophen-2-yl]ethanamine has a molecular weight of 261.39 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-propan-2-yloxyphenyl)thiophen-2-yl]ethanamine is sourced from PubChem (CID 94274161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).