1-(4-ethoxyphenyl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine

C17H23NOS — CID 62345553

IUPAC1-(4-ethoxyphenyl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
SMILESCCOc1ccc(C(C)NCc2ccc(CC)s2)cc1
InChIInChI=1S/C17H23NOS/c1-4-16-10-11-17(20-16)12-18-13(3)14-6-8-15(9-7-14)19-5-2/h6-11,13,18H,4-5,12H2,1-3H3
InChIKeyDANUXCAHJQPCNM-UHFFFAOYSA-N
MW289.44 g/mol
LogP4.56
Rot. Bonds7

About 1-(4-ethoxyphenyl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine

1-(4-ethoxyphenyl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine (PubChem CID 62345553) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
PubChem CID62345553
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC Name1-(4-ethoxyphenyl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
SMILESCCOc1ccc(C(C)NCc2ccc(CC)s2)cc1
InChIInChI=1S/C17H23NOS/c1-4-16-10-11-17(20-16)12-18-13(3)14-6-8-15(9-7-14)19-5-2/h6-11,13,18H,4-5,12H2,1-3H3
InChIKeyDANUXCAHJQPCNM-UHFFFAOYSA-N
XLogP4.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-ethoxyphenyl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 1-(4-ethoxyphenyl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine (CID 62345553) is 1-(4-ethoxyphenyl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(4-ethoxyphenyl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine is CCOc1ccc(C(C)NCc2ccc(CC)s2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine?
The InChIKey is DANUXCAHJQPCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-4-16-10-11-17(20-16)12-18-13(3)14-6-8-15(9-7-14)19-5-2/h6-11,13,18H,4-5,12H2,1-3H3.
What are the key properties of 1-(4-ethoxyphenyl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine?
1-(4-ethoxyphenyl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine has a molecular weight of 289.44 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 62345553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).