1-(2-propoxyphenyl)-2-thiophen-2-ylethanamine

C15H19NOS — CID 104660039

IUPAC1-(2-propoxyphenyl)-2-thiophen-2-ylethanamine
SMILESCCCOc1ccccc1C(N)Cc1cccs1
InChIInChI=1S/C15H19NOS/c1-2-9-17-15-8-4-3-7-13(15)14(16)11-12-6-5-10-18-12/h3-8,10,14H,2,9,11,16H2,1H3
InChIKeyNIOSRIOPRSGODD-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.78
Rot. Bonds6

About 1-(2-propoxyphenyl)-2-thiophen-2-ylethanamine

1-(2-propoxyphenyl)-2-thiophen-2-ylethanamine (PubChem CID 104660039) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-(2-propoxyphenyl)-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name1-(2-propoxyphenyl)-2-thiophen-2-ylethanamine
PubChem CID104660039
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name1-(2-propoxyphenyl)-2-thiophen-2-ylethanamine
SMILESCCCOc1ccccc1C(N)Cc1cccs1
InChIInChI=1S/C15H19NOS/c1-2-9-17-15-8-4-3-7-13(15)14(16)11-12-6-5-10-18-12/h3-8,10,14H,2,9,11,16H2,1H3
InChIKeyNIOSRIOPRSGODD-UHFFFAOYSA-N
XLogP3.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-propoxyphenyl)-2-thiophen-2-ylethanamine?
The IUPAC name of 1-(2-propoxyphenyl)-2-thiophen-2-ylethanamine (CID 104660039) is 1-(2-propoxyphenyl)-2-thiophen-2-ylethanamine.
What is the SMILES notation for 1-(2-propoxyphenyl)-2-thiophen-2-ylethanamine?
The canonical SMILES for 1-(2-propoxyphenyl)-2-thiophen-2-ylethanamine is CCCOc1ccccc1C(N)Cc1cccs1.
What is the InChIKey of 1-(2-propoxyphenyl)-2-thiophen-2-ylethanamine?
The InChIKey is NIOSRIOPRSGODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-2-9-17-15-8-4-3-7-13(15)14(16)11-12-6-5-10-18-12/h3-8,10,14H,2,9,11,16H2,1H3.
What are the key properties of 1-(2-propoxyphenyl)-2-thiophen-2-ylethanamine?
1-(2-propoxyphenyl)-2-thiophen-2-ylethanamine has a molecular weight of 261.39 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propoxyphenyl)-2-thiophen-2-ylethanamine is sourced from PubChem (CID 104660039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).