2-(2,5-dimethylphenyl)-N-ethyl-1-(3-ethylthiophen-2-yl)ethanamine

C18H25NS — CID 79976365

IUPAC2-(2,5-dimethylphenyl)-N-ethyl-1-(3-ethylthiophen-2-yl)ethanamine
SMILESCCNC(Cc1cc(C)ccc1C)c1sccc1CC
InChIInChI=1S/C18H25NS/c1-5-15-9-10-20-18(15)17(19-6-2)12-16-11-13(3)7-8-14(16)4/h7-11,17,19H,5-6,12H2,1-4H3
InChIKeyPMKFPYZNYFEORN-UHFFFAOYSA-N
MW287.47 g/mol
LogP4.82
Rot. Bonds6

About 2-(2,5-dimethylphenyl)-N-ethyl-1-(3-ethylthiophen-2-yl)ethanamine

2-(2,5-dimethylphenyl)-N-ethyl-1-(3-ethylthiophen-2-yl)ethanamine (PubChem CID 79976365) has the molecular formula C18H25NS and a molecular weight of 287.47 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-N-ethyl-1-(3-ethylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-N-ethyl-1-(3-ethylthiophen-2-yl)ethanamine
PubChem CID79976365
Molecular FormulaC18H25NS
Molecular Weight287.47 g/mol
Exact Mass287.17
IUPAC Name2-(2,5-dimethylphenyl)-N-ethyl-1-(3-ethylthiophen-2-yl)ethanamine
SMILESCCNC(Cc1cc(C)ccc1C)c1sccc1CC
InChIInChI=1S/C18H25NS/c1-5-15-9-10-20-18(15)17(19-6-2)12-16-11-13(3)7-8-14(16)4/h7-11,17,19H,5-6,12H2,1-4H3
InChIKeyPMKFPYZNYFEORN-UHFFFAOYSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4-methylphenyl)-N-ethyl-1-(3-ethylthiophen-2-yl)ethanamine
CID 106867922
2-(2,5-dimethylphenyl)-1-(3-ethylthiophen-2-yl)ethanol
CID 79976014
2-(2,5-dimethylphenyl)-N-ethyl-1-thiophen-2-ylethanamine
CID 61481816
N-ethyl-1-(3-ethylthiophen-2-yl)propan-1-amine
CID 114979794
2-(2,5-dimethylphenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105101017
1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)-N-ethylethanamine
CID 105010523
1-(2,5-dichlorothiophen-3-yl)-2-(2,5-dimethylphenyl)-N-ethylethanamine
CID 63509708
N-[(3,5-dimethylthiophen-2-yl)-(3-ethylthiophen-2-yl)methyl]ethanamine
CID 81156291
1-(4-bromo-2-methylphenyl)-2-(2,5-dimethylphenyl)-N-ethylethanamine
CID 63527968
N-ethyl-1-(3-ethylthiophen-2-yl)-2-propan-2-yloxyethanamine
CID 105013350
2-[chloro-(2,5-dimethylphenyl)methyl]-3-ethylthiophene
CID 79975785
1-(3-chloro-5-methylphenyl)-2-(2,5-dimethylphenyl)-N-ethylethanamine
CID 81315675

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-N-ethyl-1-(3-ethylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(2,5-dimethylphenyl)-N-ethyl-1-(3-ethylthiophen-2-yl)ethanamine (CID 79976365) is 2-(2,5-dimethylphenyl)-N-ethyl-1-(3-ethylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-N-ethyl-1-(3-ethylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(2,5-dimethylphenyl)-N-ethyl-1-(3-ethylthiophen-2-yl)ethanamine is CCNC(Cc1cc(C)ccc1C)c1sccc1CC.
What is the InChIKey of 2-(2,5-dimethylphenyl)-N-ethyl-1-(3-ethylthiophen-2-yl)ethanamine?
The InChIKey is PMKFPYZNYFEORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NS/c1-5-15-9-10-20-18(15)17(19-6-2)12-16-11-13(3)7-8-14(16)4/h7-11,17,19H,5-6,12H2,1-4H3.
What are the key properties of 2-(2,5-dimethylphenyl)-N-ethyl-1-(3-ethylthiophen-2-yl)ethanamine?
2-(2,5-dimethylphenyl)-N-ethyl-1-(3-ethylthiophen-2-yl)ethanamine has a molecular weight of 287.47 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-N-ethyl-1-(3-ethylthiophen-2-yl)ethanamine is sourced from PubChem (CID 79976365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).