1-(5-ethylthiophen-2-yl)-N-methyl-2-(4-methylphenyl)ethanamine

C16H21NS — CID 43480719

IUPAC1-(5-ethylthiophen-2-yl)-N-methyl-2-(4-methylphenyl)ethanamine
SMILESCCc1ccc(C(Cc2ccc(C)cc2)NC)s1
InChIInChI=1S/C16H21NS/c1-4-14-9-10-16(18-14)15(17-3)11-13-7-5-12(2)6-8-13/h5-10,15,17H,4,11H2,1-3H3
InChIKeyCPWBMGJHCMJHDU-UHFFFAOYSA-N
MW259.42 g/mol
LogP4.12
Rot. Bonds5

About 1-(5-ethylthiophen-2-yl)-N-methyl-2-(4-methylphenyl)ethanamine

1-(5-ethylthiophen-2-yl)-N-methyl-2-(4-methylphenyl)ethanamine (PubChem CID 43480719) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-N-methyl-2-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-N-methyl-2-(4-methylphenyl)ethanamine
PubChem CID43480719
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC Name1-(5-ethylthiophen-2-yl)-N-methyl-2-(4-methylphenyl)ethanamine
SMILESCCc1ccc(C(Cc2ccc(C)cc2)NC)s1
InChIInChI=1S/C16H21NS/c1-4-14-9-10-16(18-14)15(17-3)11-13-7-5-12(2)6-8-13/h5-10,15,17H,4,11H2,1-3H3
InChIKeyCPWBMGJHCMJHDU-UHFFFAOYSA-N
XLogP4.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromothiophen-2-yl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 61065076
[2-(4-ethylphenyl)-1-(5-ethylthiophen-2-yl)ethyl]hydrazine
CID 105287843
2-(3-chlorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 62504774
2-(3-bromo-5-fluorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 105015574
1-(5-ethylthiophen-2-yl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 105015058
1-(5-ethylthiophen-2-yl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105377421
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 105002673
[1-(5-ethylthiophen-2-yl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105284996
2-(2,5-dichlorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 115863104
(1R)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 55277214
2-(4-ethylphenyl)-1-(5-ethylthiophen-2-yl)ethanol
CID 63896090
N-methyl-1-(5-methylfuran-3-yl)-2-(4-methylphenyl)ethanamine
CID 114821279

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-N-methyl-2-(4-methylphenyl)ethanamine?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-N-methyl-2-(4-methylphenyl)ethanamine (CID 43480719) is 1-(5-ethylthiophen-2-yl)-N-methyl-2-(4-methylphenyl)ethanamine.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-N-methyl-2-(4-methylphenyl)ethanamine?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-N-methyl-2-(4-methylphenyl)ethanamine is CCc1ccc(C(Cc2ccc(C)cc2)NC)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-N-methyl-2-(4-methylphenyl)ethanamine?
The InChIKey is CPWBMGJHCMJHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-4-14-9-10-16(18-14)15(17-3)11-13-7-5-12(2)6-8-13/h5-10,15,17H,4,11H2,1-3H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-N-methyl-2-(4-methylphenyl)ethanamine?
1-(5-ethylthiophen-2-yl)-N-methyl-2-(4-methylphenyl)ethanamine has a molecular weight of 259.42 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-N-methyl-2-(4-methylphenyl)ethanamine is sourced from PubChem (CID 43480719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).