N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine

C17H23NOS — CID 65246138

IUPACN-[(4,5-dimethylthiophen-2-yl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine
SMILESCOc1ccc(C)cc1C(C)NCc1cc(C)c(C)s1
InChIInChI=1S/C17H23NOS/c1-11-6-7-17(19-5)16(8-11)13(3)18-10-15-9-12(2)14(4)20-15/h6-9,13,18H,10H2,1-5H3
InChIKeyAORFQFRTJXTDOQ-UHFFFAOYSA-N
MW289.44 g/mol
LogP4.53
Rot. Bonds5

About N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine

N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine (PubChem CID 65246138) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(4,5-dimethylthiophen-2-yl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine
PubChem CID65246138
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC NameN-[(4,5-dimethylthiophen-2-yl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine
SMILESCOc1ccc(C)cc1C(C)NCc1cc(C)c(C)s1
InChIInChI=1S/C17H23NOS/c1-11-6-7-17(19-5)16(8-11)13(3)18-10-15-9-12(2)14(4)20-15/h6-9,13,18H,10H2,1-5H3
InChIKeyAORFQFRTJXTDOQ-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dimethylphenyl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43225415
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(2,5-dimethylphenyl)ethanamine
CID 102833458
N-benzyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43177527
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine
CID 64540349
2-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]-5-methoxyphenol
CID 65246248
1-(2-methoxy-5-methylphenyl)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 43178128
1-(2-methoxy-5-methylphenyl)-N-(thiophen-3-ylmethyl)ethanamine
CID 43225409
N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine
CID 62134908
1-(2-methoxy-5-methylphenyl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine
CID 43781433
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2-methoxy-5-methylphenyl)ethanamine
CID 106041315
1-(2-methoxy-5-methylphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine
CID 62992014
N-[(1-ethylpyrrol-3-yl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine
CID 66400523

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine?
The IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine (CID 65246138) is N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine.
What is the SMILES notation for N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine?
The canonical SMILES for N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine is COc1ccc(C)cc1C(C)NCc1cc(C)c(C)s1.
What is the InChIKey of N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine?
The InChIKey is AORFQFRTJXTDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-11-6-7-17(19-5)16(8-11)13(3)18-10-15-9-12(2)14(4)20-15/h6-9,13,18H,10H2,1-5H3.
What are the key properties of N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine?
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine has a molecular weight of 289.44 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine is sourced from PubChem (CID 65246138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).