4-methoxy-2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline

C15H20N2OS — CID 22414391

IUPAC4-methoxy-2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline
SMILESCNC(Cc1cc(OC)ccc1N)c1sccc1C
InChIInChI=1S/C15H20N2OS/c1-10-6-7-19-15(10)14(17-2)9-11-8-12(18-3)4-5-13(11)16/h4-8,14,17H,9,16H2,1-3H3
InChIKeyRHWDJVROEKXOQQ-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.15
Rot. Bonds5

About 4-methoxy-2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline

4-methoxy-2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline (PubChem CID 22414391) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is 4-methoxy-2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline.

Molecular Properties

Compound Name4-methoxy-2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline
PubChem CID22414391
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name4-methoxy-2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline
SMILESCNC(Cc1cc(OC)ccc1N)c1sccc1C
InChIInChI=1S/C15H20N2OS/c1-10-6-7-19-15(10)14(17-2)9-11-8-12(18-3)4-5-13(11)16/h4-8,14,17H,9,16H2,1-3H3
InChIKeyRHWDJVROEKXOQQ-UHFFFAOYSA-N
XLogP3.15
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methoxy-2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline 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-(2-bromo-5-methoxyphenyl)-1-(3-bromothiophen-2-yl)-N-methylethanamine
CID 115862130
2-(2-methoxy-5-methylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
CID 115826658
2-(5-ethylthiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
CID 115842662
2-(2-bromo-5-methoxyphenyl)-1-(3-methylthiophen-2-yl)ethanol
CID 65327412
2-(2-bromo-4-fluorophenyl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
CID 115843279
1-(3-chlorothiophen-2-yl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 80529156
2-(5-bromothiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
CID 115841218
2-(2-bromo-5-methoxyphenyl)-N-methyl-1-thiophen-2-ylethanamine
CID 65325546
2-(3-methoxyphenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine
CID 81121763
2-(2,5-dimethylpyrazol-3-yl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
CID 104996357
2-[bromo-(2,5-dimethoxyphenyl)methyl]-3-methylthiophene
CID 61096679
1-(3-chlorothiophen-2-yl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 80528966

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline?
The IUPAC name of 4-methoxy-2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline (CID 22414391) is 4-methoxy-2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline.
What is the SMILES notation for 4-methoxy-2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline?
The canonical SMILES for 4-methoxy-2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline is CNC(Cc1cc(OC)ccc1N)c1sccc1C.
What is the InChIKey of 4-methoxy-2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline?
The InChIKey is RHWDJVROEKXOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-10-6-7-19-15(10)14(17-2)9-11-8-12(18-3)4-5-13(11)16/h4-8,14,17H,9,16H2,1-3H3.
What are the key properties of 4-methoxy-2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline?
4-methoxy-2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline has a molecular weight of 276.41 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline is sourced from PubChem (CID 22414391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).