2-(4-ethylphenoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine

C16H21NOS — CID 62572739

IUPAC2-(4-ethylphenoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
SMILESCCc1ccc(OCCNCc2ccc(C)s2)cc1
InChIInChI=1S/C16H21NOS/c1-3-14-5-7-15(8-6-14)18-11-10-17-12-16-9-4-13(2)19-16/h4-9,17H,3,10-12H2,1-2H3
InChIKeyKWHNCZNJENKVQK-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.79
Rot. Bonds7

About 2-(4-ethylphenoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine

2-(4-ethylphenoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine (PubChem CID 62572739) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
PubChem CID62572739
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name2-(4-ethylphenoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
SMILESCCc1ccc(OCCNCc2ccc(C)s2)cc1
InChIInChI=1S/C16H21NOS/c1-3-14-5-7-15(8-6-14)18-11-10-17-12-16-9-4-13(2)19-16/h4-9,17H,3,10-12H2,1-2H3
InChIKeyKWHNCZNJENKVQK-UHFFFAOYSA-N
XLogP3.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(4-ethylphenoxy)-N-[(5-methylthiophen-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

Related Compounds

2-[4-(2-methoxyethyl)phenoxy]-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 62597904
2-(4-methylsulfanylphenoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 63648590
2-(4-butan-2-ylphenoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 107668554
2-(4-ethyl-2-methoxyphenoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 107668644
N-[(5-methylthiophen-2-yl)methyl]-2-(4-nitrophenoxy)ethanamine
CID 62056067
1-(4-ethylphenoxy)-3-[(5-methylthiophen-2-yl)methylamino]propan-2-ol
CID 60969765
N-ethyl-2-(4-ethylphenoxy)ethanamine;hydrochloride
CID 75531601
2-(2-bromo-4-methoxyphenoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 104708530
N-[(5-methylthiophen-2-yl)methyl]-2-quinolin-7-yloxyethanamine
CID 107315206
N-[[5-[(4-ethylphenoxy)methyl]thiophen-2-yl]methyl]ethanamine
CID 107558453
N-[(5-methylthiophen-2-yl)methyl]-2-pentoxyethanamine
CID 62583214
N-[(5-methylthiophen-2-yl)methyl]-2-(2,4,6-tribromophenoxy)ethanamine
CID 63506848

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 2-(4-ethylphenoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine (CID 62572739) is 2-(4-ethylphenoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(4-ethylphenoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine is CCc1ccc(OCCNCc2ccc(C)s2)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The InChIKey is KWHNCZNJENKVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-3-14-5-7-15(8-6-14)18-11-10-17-12-16-9-4-13(2)19-16/h4-9,17H,3,10-12H2,1-2H3.
What are the key properties of 2-(4-ethylphenoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
2-(4-ethylphenoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine has a molecular weight of 275.42 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 62572739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).