1-(3-ethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine

C15H19NOS — CID 79989016

IUPAC1-(3-ethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
SMILESCCOc1cccc(C(NC)c2sccc2C)c1
InChIInChI=1S/C15H19NOS/c1-4-17-13-7-5-6-12(10-13)14(16-3)15-11(2)8-9-18-15/h5-10,14,16H,4H2,1-3H3
InChIKeyNQEGTOZTSPJEPI-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.76
Rot. Bonds5

About 1-(3-ethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine

1-(3-ethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine (PubChem CID 79989016) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
PubChem CID79989016
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name1-(3-ethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
SMILESCCOc1cccc(C(NC)c2sccc2C)c1
InChIInChI=1S/C15H19NOS/c1-4-17-13-7-5-6-12(10-13)14(16-3)15-11(2)8-9-18-15/h5-10,14,16H,4H2,1-3H3
InChIKeyNQEGTOZTSPJEPI-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-(3-ethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-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-[(3-ethoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 79989146
(3-ethoxyphenyl)-(3-methylthiophen-2-yl)methanol
CID 79992255
1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 104657472
N-[(3-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 55007060
3-[methylamino-(3-methylthiophen-2-yl)methyl]aniline
CID 116951934
3-ethoxy-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 63993267
1-(3-ethoxyphenyl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 62790676
1-(3-ethoxyphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 60819656
1-(4-chlorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 60864424
1-(3-ethoxyphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 104789931
1-(3-ethylthiophen-2-yl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
CID 105018995
1-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 61332716

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine?
The IUPAC name of 1-(3-ethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine (CID 79989016) is 1-(3-ethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine.
What is the SMILES notation for 1-(3-ethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine?
The canonical SMILES for 1-(3-ethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine is CCOc1cccc(C(NC)c2sccc2C)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine?
The InChIKey is NQEGTOZTSPJEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-4-17-13-7-5-6-12(10-13)14(16-3)15-11(2)8-9-18-15/h5-10,14,16H,4H2,1-3H3.
What are the key properties of 1-(3-ethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine?
1-(3-ethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-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-(3-ethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 79989016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).