1-[4-(2-methoxyethyl)phenyl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine

C16H21NO2S — CID 81127265

IUPAC1-[4-(2-methoxyethyl)phenyl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1ccc(CCOC)cc1)c1sccc1OC
InChIInChI=1S/C16H21NO2S/c1-17-15(16-14(19-3)9-11-20-16)13-6-4-12(5-7-13)8-10-18-2/h4-7,9,11,15,17H,8,10H2,1-3H3
InChIKeyXEJYPWLTJAEVQF-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.25
Rot. Bonds7

About 1-[4-(2-methoxyethyl)phenyl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine

1-[4-(2-methoxyethyl)phenyl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine (PubChem CID 81127265) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is 1-[4-(2-methoxyethyl)phenyl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(2-methoxyethyl)phenyl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
PubChem CID81127265
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC Name1-[4-(2-methoxyethyl)phenyl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1ccc(CCOC)cc1)c1sccc1OC
InChIInChI=1S/C16H21NO2S/c1-17-15(16-14(19-3)9-11-20-16)13-6-4-12(5-7-13)8-10-18-2/h4-7,9,11,15,17H,8,10H2,1-3H3
InChIKeyXEJYPWLTJAEVQF-UHFFFAOYSA-N
XLogP3.25
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(2-methoxyethyl)phenyl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine 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-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-3-methoxythiophene
CID 81123904
1-[4-(2-methoxyethyl)phenyl]-1-(2-methoxyphenyl)-N-methylmethanamine
CID 43482394
1-[2-(2-methoxyethoxy)phenyl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 105035272
1-[5-(methoxymethyl)furan-2-yl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 113461762
1-(2,3-dihydro-1H-inden-5-yl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 81126472
1-(3-chloro-5-methylphenyl)-1-[4-(2-methoxyethyl)phenyl]-N-methylmethanamine
CID 81315879
1-(3-methoxythiophen-2-yl)-N-methyl-1-(2-methylphenyl)methanamine
CID 115794755
1-(3-methoxythiophen-2-yl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 81126556
1-(3-methoxythiophen-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
CID 115850644
1-(4-butylphenyl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine
CID 79985540
1-(3-chlorophenyl)-1-[4-(2-methoxyethyl)phenyl]-N-methylmethanamine
CID 43482400
1-(5-ethylthiophen-2-yl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 81127074

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyethyl)phenyl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-[4-(2-methoxyethyl)phenyl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine (CID 81127265) is 1-[4-(2-methoxyethyl)phenyl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-[4-(2-methoxyethyl)phenyl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-[4-(2-methoxyethyl)phenyl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine is CNC(c1ccc(CCOC)cc1)c1sccc1OC.
What is the InChIKey of 1-[4-(2-methoxyethyl)phenyl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine?
The InChIKey is XEJYPWLTJAEVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-17-15(16-14(19-3)9-11-20-16)13-6-4-12(5-7-13)8-10-18-2/h4-7,9,11,15,17H,8,10H2,1-3H3.
What are the key properties of 1-[4-(2-methoxyethyl)phenyl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine?
1-[4-(2-methoxyethyl)phenyl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine has a molecular weight of 291.42 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyethyl)phenyl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 81127265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).