1-(4-ethoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine

C15H19NOS — CID 113221923

IUPAC1-(4-ethoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
SMILESCCOc1ccc(CNCc2sccc2C)cc1
InChIInChI=1S/C15H19NOS/c1-3-17-14-6-4-13(5-7-14)10-16-11-15-12(2)8-9-18-15/h4-9,16H,3,10-11H2,1-2H3
InChIKeyLBIQLXLZGXLFHP-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.75
Rot. Bonds6

About 1-(4-ethoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine

1-(4-ethoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine (PubChem CID 113221923) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
PubChem CID113221923
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name1-(4-ethoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
SMILESCCOc1ccc(CNCc2sccc2C)cc1
InChIInChI=1S/C15H19NOS/c1-3-17-14-6-4-13(5-7-14)10-16-11-15-12(2)8-9-18-15/h4-9,16H,3,10-11H2,1-2H3
InChIKeyLBIQLXLZGXLFHP-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxyphenyl)-N-[(4-ethoxyphenyl)methyl]methanamine;hydrochloride
CID 170995213
1-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 834212
N-[(3-methylthiophen-2-yl)methyl]-1-thiophen-3-ylmethanamine
CID 60744110
1-(3,5-dichlorophenyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 113225343
N-(bromomethyl)-1-(4-ethoxyphenyl)methanamine
CID 115261867
2-(4-ethylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 32959130
2-(4-butan-2-ylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 107668633
1-(4-ethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]methanamine
CID 60776460
1-(2,5-dimethylfuran-3-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 115627578
1-(4-ethoxyphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 63822889
N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine
CID 961342
2-(3-fluoro-4-methylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 107170989

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine?
The IUPAC name of 1-(4-ethoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine (CID 113221923) is 1-(4-ethoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine?
The canonical SMILES for 1-(4-ethoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine is CCOc1ccc(CNCc2sccc2C)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine?
The InChIKey is LBIQLXLZGXLFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-3-17-14-6-4-13(5-7-14)10-16-11-15-12(2)8-9-18-15/h4-9,16H,3,10-11H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine?
1-(4-ethoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine has a molecular weight of 261.39 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine is sourced from PubChem (CID 113221923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).