1-(2-methoxy-5-methylphenyl)-N-(thiophen-3-ylmethyl)ethanamine

C15H19NOS — CID 43225409

IUPAC1-(2-methoxy-5-methylphenyl)-N-(thiophen-3-ylmethyl)ethanamine
SMILESCOc1ccc(C)cc1C(C)NCc1ccsc1
InChIInChI=1S/C15H19NOS/c1-11-4-5-15(17-3)14(8-11)12(2)16-9-13-6-7-18-10-13/h4-8,10,12,16H,9H2,1-3H3
InChIKeyZEPGHHNCWPFOKX-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.92
Rot. Bonds5

About 1-(2-methoxy-5-methylphenyl)-N-(thiophen-3-ylmethyl)ethanamine

1-(2-methoxy-5-methylphenyl)-N-(thiophen-3-ylmethyl)ethanamine (PubChem CID 43225409) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-N-(thiophen-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-N-(thiophen-3-ylmethyl)ethanamine
PubChem CID43225409
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name1-(2-methoxy-5-methylphenyl)-N-(thiophen-3-ylmethyl)ethanamine
SMILESCOc1ccc(C)cc1C(C)NCc1ccsc1
InChIInChI=1S/C15H19NOS/c1-11-4-5-15(17-3)14(8-11)12(2)16-9-13-6-7-18-10-13/h4-8,10,12,16H,9H2,1-3H3
InChIKeyZEPGHHNCWPFOKX-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-methoxy-5-methylphenyl)-N-(thiophen-3-ylmethyl)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

N-benzyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43177527
1-(2-methoxy-5-methylphenyl)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 43178128
N-(thiophen-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 63002073
1-(2-methoxy-5-methylphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine
CID 62992014
N-[(1-ethylpyrrol-3-yl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine
CID 66400523
N-[(2,4-dimethylphenyl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43225415
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine
CID 65246138
(1R)-1-(2-methoxy-5-methylphenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 97256225
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine
CID 64540349
(1R)-1-(4-methoxyphenyl)-N-(thiophen-3-ylmethyl)ethanamine
CID 81371445
N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine
CID 62134908
(1R)-1-(3-methoxyphenyl)-N-(thiophen-3-ylmethyl)ethanamine
CID 81376061

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-N-(thiophen-3-ylmethyl)ethanamine?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-N-(thiophen-3-ylmethyl)ethanamine (CID 43225409) is 1-(2-methoxy-5-methylphenyl)-N-(thiophen-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-N-(thiophen-3-ylmethyl)ethanamine?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-N-(thiophen-3-ylmethyl)ethanamine is COc1ccc(C)cc1C(C)NCc1ccsc1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-N-(thiophen-3-ylmethyl)ethanamine?
The InChIKey is ZEPGHHNCWPFOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-11-4-5-15(17-3)14(8-11)12(2)16-9-13-6-7-18-10-13/h4-8,10,12,16H,9H2,1-3H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-N-(thiophen-3-ylmethyl)ethanamine?
1-(2-methoxy-5-methylphenyl)-N-(thiophen-3-ylmethyl)ethanamine has a molecular weight of 261.39 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-N-(thiophen-3-ylmethyl)ethanamine is sourced from PubChem (CID 43225409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).