1-(2-ethoxy-5-methylphenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine

C17H23NOS — CID 62302159

IUPAC1-(2-ethoxy-5-methylphenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine
SMILESCCOc1ccc(C)cc1C(NC)c1ccc(CC)s1
InChIInChI=1S/C17H23NOS/c1-5-13-8-10-16(20-13)17(18-4)14-11-12(3)7-9-15(14)19-6-2/h7-11,17-18H,5-6H2,1-4H3
InChIKeyMXEXYQVAHFHCJO-UHFFFAOYSA-N
MW289.44 g/mol
LogP4.33
Rot. Bonds6

About 1-(2-ethoxy-5-methylphenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine

1-(2-ethoxy-5-methylphenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine (PubChem CID 62302159) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is 1-(2-ethoxy-5-methylphenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-ethoxy-5-methylphenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine
PubChem CID62302159
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC Name1-(2-ethoxy-5-methylphenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine
SMILESCCOc1ccc(C)cc1C(NC)c1ccc(CC)s1
InChIInChI=1S/C17H23NOS/c1-5-13-8-10-16(20-13)17(18-4)14-11-12(3)7-9-15(14)19-6-2/h7-11,17-18H,5-6H2,1-4H3
InChIKeyMXEXYQVAHFHCJO-UHFFFAOYSA-N
XLogP4.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-ethoxy-5-methylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 63506843
1-(2-ethoxy-5-methylphenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 62302995
1-(5-ethylthiophen-2-yl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
CID 102841821
1-(2,3-dimethylphenyl)-1-(2-ethoxy-5-methylphenyl)-N-methylmethanamine
CID 62301816
1-(3-chlorothiophen-2-yl)-1-(2-ethoxy-5-methylphenyl)-N-methylmethanamine
CID 80645153
1-(2-ethoxyphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 43480464
1-(5-ethylthiophen-2-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102758626
2-[bromo-(2-ethoxy-5-methylphenyl)methyl]-5-methylthiophene
CID 63447966
1-(2-ethoxy-5-methylphenyl)-3,3,3-trifluoro-N-methylpropan-1-amine
CID 55056937
1-(5-ethylthiophen-2-yl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine
CID 79215380
1-(2-chloro-4-fluorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine
CID 43480778
1-(5-bromo-2-ethoxyphenyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 43487365

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-5-methylphenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-ethoxy-5-methylphenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine (CID 62302159) is 1-(2-ethoxy-5-methylphenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-ethoxy-5-methylphenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-ethoxy-5-methylphenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine is CCOc1ccc(C)cc1C(NC)c1ccc(CC)s1.
What is the InChIKey of 1-(2-ethoxy-5-methylphenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine?
The InChIKey is MXEXYQVAHFHCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-5-13-8-10-16(20-13)17(18-4)14-11-12(3)7-9-15(14)19-6-2/h7-11,17-18H,5-6H2,1-4H3.
What are the key properties of 1-(2-ethoxy-5-methylphenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine?
1-(2-ethoxy-5-methylphenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine has a molecular weight of 289.44 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-5-methylphenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 62302159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).