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

C16H21NO3S — CID 105035272

IUPAC1-[2-(2-methoxyethoxy)phenyl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1ccccc1OCCOC)c1sccc1OC
InChIInChI=1S/C16H21NO3S/c1-17-15(16-14(19-3)8-11-21-16)12-6-4-5-7-13(12)20-10-9-18-2/h4-8,11,15,17H,9-10H2,1-3H3
InChIKeyPMBZSYRSZVJBIE-UHFFFAOYSA-N
MW307.42 g/mol
LogP3.09
Rot. Bonds8

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

1-[2-(2-methoxyethoxy)phenyl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine (PubChem CID 105035272) has the molecular formula C16H21NO3S and a molecular weight of 307.42 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)phenyl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)phenyl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
PubChem CID105035272
Molecular FormulaC16H21NO3S
Molecular Weight307.42 g/mol
Exact Mass307.12
IUPAC Name1-[2-(2-methoxyethoxy)phenyl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1ccccc1OCCOC)c1sccc1OC
InChIInChI=1S/C16H21NO3S/c1-17-15(16-14(19-3)8-11-21-16)12-6-4-5-7-13(12)20-10-9-18-2/h4-8,11,15,17H,9-10H2,1-3H3
InChIKeyPMBZSYRSZVJBIE-UHFFFAOYSA-N
XLogP3.09
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chlorothiophen-2-yl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine
CID 105035225
1-(3-methoxythiophen-2-yl)-N-methyl-1-(2-methylphenyl)methanamine
CID 115794755
[(3-chlorothiophen-2-yl)-[2-(2-methoxyethoxy)phenyl]methyl]hydrazine
CID 105334131
1-(3-methoxythiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 115853851
1-(2-bromophenyl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine
CID 104659993
1-[2-(2-methoxyethoxy)phenyl]-N-methyl-1-(4-methylphenyl)methanamine
CID 104659836
1-(5-fluoro-2-methoxyphenyl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 81127081
1-[2-(2-methoxyethoxy)phenyl]-N-methyl-1-(1,3-thiazol-4-yl)methanamine
CID 104660548
1-[4-(2-methoxyethyl)phenyl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 81127265
(3-methoxythiophen-2-yl)-(2-propoxyphenyl)methanol
CID 115833017
(3-bromothiophen-2-yl)-[2-(2-methoxyethoxy)phenyl]methanol
CID 104658901
(3-chlorothiophen-2-yl)-[2-(2-methoxyethoxy)phenyl]methanamine
CID 105035341

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethoxy)phenyl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-[2-(2-methoxyethoxy)phenyl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine (CID 105035272) is 1-[2-(2-methoxyethoxy)phenyl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)phenyl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-[2-(2-methoxyethoxy)phenyl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine is CNC(c1ccccc1OCCOC)c1sccc1OC.
What is the InChIKey of 1-[2-(2-methoxyethoxy)phenyl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine?
The InChIKey is PMBZSYRSZVJBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3S/c1-17-15(16-14(19-3)8-11-21-16)12-6-4-5-7-13(12)20-10-9-18-2/h4-8,11,15,17H,9-10H2,1-3H3.
What are the key properties of 1-[2-(2-methoxyethoxy)phenyl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine?
1-[2-(2-methoxyethoxy)phenyl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine has a molecular weight of 307.42 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxy)phenyl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 105035272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).