N-ethyl-2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylphenyl)ethanamine

C19H27NS — CID 63412218

IUPACN-ethyl-2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylphenyl)ethanamine
SMILESCCNC(Cc1ccc(CC)s1)c1ccc(C(C)C)cc1
InChIInChI=1S/C19H27NS/c1-5-17-11-12-18(21-17)13-19(20-6-2)16-9-7-15(8-10-16)14(3)4/h7-12,14,19-20H,5-6,13H2,1-4H3
InChIKeyHKHONFCUWNINQI-UHFFFAOYSA-N
MW301.50 g/mol
LogP5.33
Rot. Bonds7

About N-ethyl-2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylphenyl)ethanamine

N-ethyl-2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylphenyl)ethanamine (PubChem CID 63412218) has the molecular formula C19H27NS and a molecular weight of 301.50 g/mol. Its IUPAC name is N-ethyl-2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylphenyl)ethanamine
PubChem CID63412218
Molecular FormulaC19H27NS
Molecular Weight301.50 g/mol
Exact Mass301.19
IUPAC NameN-ethyl-2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylphenyl)ethanamine
SMILESCCNC(Cc1ccc(CC)s1)c1ccc(C(C)C)cc1
InChIInChI=1S/C19H27NS/c1-5-17-11-12-18(21-17)13-19(20-6-2)16-9-7-15(8-10-16)14(3)4/h7-12,14,19-20H,5-6,13H2,1-4H3
InChIKeyHKHONFCUWNINQI-UHFFFAOYSA-N
XLogP5.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.50
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-fluorophenyl)-N-ethyl-2-(5-ethylthiophen-2-yl)ethanamine
CID 63418184
2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylphenyl)ethanamine
CID 63414215
2-(5-chlorothiophen-2-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine
CID 115841428
N-ethyl-2-(5-ethylthiophen-2-yl)-1-(3-methoxyphenyl)ethanamine
CID 62605862
1-(3-bromo-5-methylphenyl)-N-ethyl-2-(5-ethylthiophen-2-yl)ethanamine
CID 115842312
N-ethyl-1-(5-ethylthiophen-2-yl)-3-methylbutan-2-amine
CID 62600764
2-(5-bromothiophen-2-yl)-N-ethyl-1-(4-methylphenyl)ethanamine
CID 62600711
N-ethyl-2-(5-ethylthiophen-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 115842305
N-ethyl-3-[(5-ethylthiophen-2-yl)methyl]pentan-2-amine
CID 60999156
[1-(4-bromophenyl)-2-(5-ethylthiophen-2-yl)ethyl]hydrazine
CID 105192436
1-(4-tert-butylphenyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 115842628
N-[1-(3,5-dichlorophenyl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 115842683

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of N-ethyl-2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylphenyl)ethanamine (CID 63412218) is N-ethyl-2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for N-ethyl-2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylphenyl)ethanamine is CCNC(Cc1ccc(CC)s1)c1ccc(C(C)C)cc1.
What is the InChIKey of N-ethyl-2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is HKHONFCUWNINQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NS/c1-5-17-11-12-18(21-17)13-19(20-6-2)16-9-7-15(8-10-16)14(3)4/h7-12,14,19-20H,5-6,13H2,1-4H3.
What are the key properties of N-ethyl-2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylphenyl)ethanamine?
N-ethyl-2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 301.50 g/mol, XLogP of 5.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 63412218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).