2-(2-methoxy-5-methylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine

C16H21NOS — CID 115826658

IUPAC2-(2-methoxy-5-methylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
SMILESCNC(Cc1cc(C)ccc1OC)c1sccc1C
InChIInChI=1S/C16H21NOS/c1-11-5-6-15(18-4)13(9-11)10-14(17-3)16-12(2)7-8-19-16/h5-9,14,17H,10H2,1-4H3
InChIKeyDWQWMIHWNFTWMU-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.88
Rot. Bonds5

About 2-(2-methoxy-5-methylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine

2-(2-methoxy-5-methylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine (PubChem CID 115826658) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-(2-methoxy-5-methylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2-methoxy-5-methylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
PubChem CID115826658
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name2-(2-methoxy-5-methylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
SMILESCNC(Cc1cc(C)ccc1OC)c1sccc1C
InChIInChI=1S/C16H21NOS/c1-11-5-6-15(18-4)13(9-11)10-14(17-3)16-12(2)7-8-19-16/h5-9,14,17H,10H2,1-4H3
InChIKeyDWQWMIHWNFTWMU-UHFFFAOYSA-N
XLogP3.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline
CID 22414391
1-(4-fluoro-2-methylphenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 81267976
1-(3-chloro-4-methylphenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 115826763
1-(2,5-dichlorothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 107968056
2-(2-methoxy-5-methylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylethanamine
CID 105065334
2-(2-methoxy-5-methylphenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 65362967
1-(3-chlorothiophen-2-yl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 80528966
1-(3-bromothiophen-2-yl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 55239918
2-(2-methoxy-5-methylphenyl)-N-methyl-1-pyrazin-2-ylethanamine
CID 62160695
1-(3-chloro-4-methylthiophen-2-yl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine
CID 103405432
2-(2-fluoro-3-methoxyphenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine
CID 105035509
2-(2-bromo-4-fluorophenyl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
CID 115843279

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-methylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(2-methoxy-5-methylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine (CID 115826658) is 2-(2-methoxy-5-methylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(2-methoxy-5-methylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(2-methoxy-5-methylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine is CNC(Cc1cc(C)ccc1OC)c1sccc1C.
What is the InChIKey of 2-(2-methoxy-5-methylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine?
The InChIKey is DWQWMIHWNFTWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-11-5-6-15(18-4)13(9-11)10-14(17-3)16-12(2)7-8-19-16/h5-9,14,17H,10H2,1-4H3.
What are the key properties of 2-(2-methoxy-5-methylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine?
2-(2-methoxy-5-methylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine has a molecular weight of 275.42 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-methylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 115826658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).