1-(4-ethoxyphenyl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine

C15H19NOS — CID 79802169

IUPAC1-(4-ethoxyphenyl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine
SMILESCCOc1ccc(C(NC)c2cscc2C)cc1
InChIInChI=1S/C15H19NOS/c1-4-17-13-7-5-12(6-8-13)15(16-3)14-10-18-9-11(14)2/h5-10,15-16H,4H2,1-3H3
InChIKeyNZOAOJSCAUPJML-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.76
Rot. Bonds5

About 1-(4-ethoxyphenyl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine

1-(4-ethoxyphenyl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine (PubChem CID 79802169) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine
PubChem CID79802169
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name1-(4-ethoxyphenyl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine
SMILESCCOc1ccc(C(NC)c2cscc2C)cc1
InChIInChI=1S/C15H19NOS/c1-4-17-13-7-5-12(6-8-13)15(16-3)14-10-18-9-11(14)2/h5-10,15-16H,4H2,1-3H3
InChIKeyNZOAOJSCAUPJML-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 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 ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-ethoxyphenyl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine 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

N-methyl-1-(4-methylthiophen-3-yl)-1-(4-propan-2-ylphenyl)methanamine
CID 79802990
1-(4-ethoxyphenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 104990532
1-(3,4-dimethylphenyl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine
CID 79802800
1-(4-ethoxyphenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine
CID 79692917
1-(3,4-dichlorophenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 43481911
1-(5-bromo-2-chlorophenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 43481853
1-(2-bromo-4-methoxyphenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 60786122
1-(4-ethoxyphenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine
CID 106883546
N-[(4-ethoxyphenyl)-thiophen-3-ylmethyl]ethanamine
CID 43489387
1-(4-ethoxyphenyl)-N-methyl-1-(6-methyl-2-pyridinyl)methanamine
CID 55222444
1-(3-chloro-4-pyridinyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 105140857
1-(4-bromo-2-fluorophenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 43481879

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine?
The IUPAC name of 1-(4-ethoxyphenyl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine (CID 79802169) is 1-(4-ethoxyphenyl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine?
The canonical SMILES for 1-(4-ethoxyphenyl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine is CCOc1ccc(C(NC)c2cscc2C)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine?
The InChIKey is NZOAOJSCAUPJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-4-17-13-7-5-12(6-8-13)15(16-3)14-10-18-9-11(14)2/h5-10,15-16H,4H2,1-3H3.
What are the key properties of 1-(4-ethoxyphenyl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine?
1-(4-ethoxyphenyl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine has a molecular weight of 261.39 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine is sourced from PubChem (CID 79802169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).