1-(4-tert-butylphenyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine

C19H27NS — CID 115842628

IUPAC1-(4-tert-butylphenyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine
SMILESCCc1ccc(CC(NC)c2ccc(C(C)(C)C)cc2)s1
InChIInChI=1S/C19H27NS/c1-6-16-11-12-17(21-16)13-18(20-5)14-7-9-15(10-8-14)19(2,3)4/h7-12,18,20H,6,13H2,1-5H3
InChIKeyYUELILPARVEOFY-UHFFFAOYSA-N
MW301.50 g/mol
LogP5.11
Rot. Bonds5

About 1-(4-tert-butylphenyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine

1-(4-tert-butylphenyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine (PubChem CID 115842628) has the molecular formula C19H27NS and a molecular weight of 301.50 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine
PubChem CID115842628
Molecular FormulaC19H27NS
Molecular Weight301.50 g/mol
Exact Mass301.19
IUPAC Name1-(4-tert-butylphenyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine
SMILESCCc1ccc(CC(NC)c2ccc(C(C)(C)C)cc2)s1
InChIInChI=1S/C19H27NS/c1-6-16-11-12-17(21-16)13-18(20-5)14-7-9-15(10-8-14)19(2,3)4/h7-12,18,20H,6,13H2,1-5H3
InChIKeyYUELILPARVEOFY-UHFFFAOYSA-N
XLogP5.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.50
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-ethylthiophen-2-yl)-N-methyl-1-(5-methylfuran-3-yl)ethanamine
CID 115842340
1-(3-chloro-4-iodophenyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 103214976
2-(5-chlorothiophen-2-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 115841423
2-(5-ethylthiophen-2-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 115842301
N-ethyl-2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylphenyl)ethanamine
CID 63412218
[2-(5-bromothiophen-2-yl)-1-(4-tert-butylphenyl)ethyl]hydrazine
CID 105295802
2-(5-ethylthiophen-2-yl)-N-methyl-1-quinolin-6-ylethanamine
CID 63097564
[1-(4-bromophenyl)-2-(5-ethylthiophen-2-yl)ethyl]hydrazine
CID 105192436
1-(4-tert-butylphenyl)-N-methylpentan-1-amine
CID 43484403
2-(5-ethylthiophen-2-yl)-N-methyl-1-(3-propoxyphenyl)ethanamine
CID 115842505
2-(5-chlorothiophen-2-yl)-1-(4-ethoxyphenyl)-N-methylethanamine
CID 115841626
2-(5-ethylthiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
CID 115842662

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine?
The IUPAC name of 1-(4-tert-butylphenyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine (CID 115842628) is 1-(4-tert-butylphenyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine?
The canonical SMILES for 1-(4-tert-butylphenyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine is CCc1ccc(CC(NC)c2ccc(C(C)(C)C)cc2)s1.
What is the InChIKey of 1-(4-tert-butylphenyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine?
The InChIKey is YUELILPARVEOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NS/c1-6-16-11-12-17(21-16)13-18(20-5)14-7-9-15(10-8-14)19(2,3)4/h7-12,18,20H,6,13H2,1-5H3.
What are the key properties of 1-(4-tert-butylphenyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine?
1-(4-tert-butylphenyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine has a molecular weight of 301.50 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine is sourced from PubChem (CID 115842628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).