1-(2,4-dimethylphenyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]ethanamine

C18H25NS — CID 61334358

IUPAC1-(2,4-dimethylphenyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]ethanamine
SMILESCCc1ccc(C(C)NC(C)c2ccc(C)cc2C)s1
InChIInChI=1S/C18H25NS/c1-6-16-8-10-18(20-16)15(5)19-14(4)17-9-7-12(2)11-13(17)3/h7-11,14-15,19H,6H2,1-5H3
InChIKeyHWWKNSJAZCQWGM-UHFFFAOYSA-N
MW287.47 g/mol
LogP5.34
Rot. Bonds5

About 1-(2,4-dimethylphenyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]ethanamine

1-(2,4-dimethylphenyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]ethanamine (PubChem CID 61334358) has the molecular formula C18H25NS and a molecular weight of 287.47 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]ethanamine
PubChem CID61334358
Molecular FormulaC18H25NS
Molecular Weight287.47 g/mol
Exact Mass287.17
IUPAC Name1-(2,4-dimethylphenyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]ethanamine
SMILESCCc1ccc(C(C)NC(C)c2ccc(C)cc2C)s1
InChIInChI=1S/C18H25NS/c1-6-16-8-10-18(20-16)15(5)19-14(4)17-9-7-12(2)11-13(17)3/h7-11,14-15,19H,6H2,1-5H3
InChIKeyHWWKNSJAZCQWGM-UHFFFAOYSA-N
XLogP5.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.47
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-[1-(5-ethylthiophen-2-yl)ethyl]-1-phenylethanamine
CID 81351461
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(2,4-dimethylphenyl)ethanamine
CID 60944672
1-(2,4-dimethylphenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine
CID 115710628
(1R)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 55277214
N-[1-(2,4-dimethylphenyl)ethyl]-2-methylpentan-3-amine
CID 63449366
N-[1-(2,4-dimethylphenyl)ethyl]-3-methylpentan-2-amine
CID 63448845
N-[1-(2,4-dimethylphenyl)ethyl]octan-4-amine
CID 106023750
N-[1-(5-ethylthiophen-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 66241993
(1R)-1-(3-bromophenyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]ethanamine
CID 81382264
(1S)-N-[1-(2,4-dimethylphenyl)ethyl]-1-phenylethanamine
CID 81350273
(3R)-3-[1-(5-ethylthiophen-2-yl)ethylamino]butan-1-ol
CID 103871723
2-N-[1-(5-ethylthiophen-2-yl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945989

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]ethanamine?
The IUPAC name of 1-(2,4-dimethylphenyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]ethanamine (CID 61334358) is 1-(2,4-dimethylphenyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]ethanamine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]ethanamine is CCc1ccc(C(C)NC(C)c2ccc(C)cc2C)s1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]ethanamine?
The InChIKey is HWWKNSJAZCQWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NS/c1-6-16-8-10-18(20-16)15(5)19-14(4)17-9-7-12(2)11-13(17)3/h7-11,14-15,19H,6H2,1-5H3.
What are the key properties of 1-(2,4-dimethylphenyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]ethanamine?
1-(2,4-dimethylphenyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]ethanamine has a molecular weight of 287.47 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]ethanamine is sourced from PubChem (CID 61334358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).