1-(2,5-dimethylphenyl)-N-ethyl-2-thiophen-2-ylethanamine

C16H21NS — CID 61064099

IUPAC1-(2,5-dimethylphenyl)-N-ethyl-2-thiophen-2-ylethanamine
SMILESCCNC(Cc1cccs1)c1cc(C)ccc1C
InChIInChI=1S/C16H21NS/c1-4-17-16(11-14-6-5-9-18-14)15-10-12(2)7-8-13(15)3/h5-10,16-17H,4,11H2,1-3H3
InChIKeyNDFJQIXCNYFOFY-UHFFFAOYSA-N
MW259.42 g/mol
LogP4.26
Rot. Bonds5

About 1-(2,5-dimethylphenyl)-N-ethyl-2-thiophen-2-ylethanamine

1-(2,5-dimethylphenyl)-N-ethyl-2-thiophen-2-ylethanamine (PubChem CID 61064099) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N-ethyl-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N-ethyl-2-thiophen-2-ylethanamine
PubChem CID61064099
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC Name1-(2,5-dimethylphenyl)-N-ethyl-2-thiophen-2-ylethanamine
SMILESCCNC(Cc1cccs1)c1cc(C)ccc1C
InChIInChI=1S/C16H21NS/c1-4-17-16(11-14-6-5-9-18-14)15-10-12(2)7-8-13(15)3/h5-10,16-17H,4,11H2,1-3H3
InChIKeyNDFJQIXCNYFOFY-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,5-dimethylphenyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 63416075
2-(2,5-dimethylphenyl)-N-ethyl-1-thiophen-2-ylethanamine
CID 61481816
2-(3-bromothiophen-2-yl)-1-(2,5-dimethylphenyl)-N-ethylethanamine
CID 115849156
1-(3-chloro-4-methylphenyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 63195285
N-ethyl-1,2-dithiophen-2-ylethanamine
CID 43755169
1-(2,5-dimethylphenyl)-N-ethylpropan-1-amine
CID 43490783
N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-thiophen-2-ylethanamine
CID 106680519
2-(2,5-dimethylphenyl)-3-thiophen-2-ylpropanoic acid
CID 83951542
2-(2,6-dichlorophenyl)-1-(2,5-dimethylphenyl)-N-ethylethanamine
CID 63415329
1-(3-bromo-5-methylphenyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 113460855
1-(2-bromo-5-methylphenyl)-N-methyl-2-thiophen-2-ylethanamine
CID 81112647
N-[2-thiophen-2-yl-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine
CID 63528434

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N-ethyl-2-thiophen-2-ylethanamine?
The IUPAC name of 1-(2,5-dimethylphenyl)-N-ethyl-2-thiophen-2-ylethanamine (CID 61064099) is 1-(2,5-dimethylphenyl)-N-ethyl-2-thiophen-2-ylethanamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N-ethyl-2-thiophen-2-ylethanamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N-ethyl-2-thiophen-2-ylethanamine is CCNC(Cc1cccs1)c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N-ethyl-2-thiophen-2-ylethanamine?
The InChIKey is NDFJQIXCNYFOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-4-17-16(11-14-6-5-9-18-14)15-10-12(2)7-8-13(15)3/h5-10,16-17H,4,11H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-N-ethyl-2-thiophen-2-ylethanamine?
1-(2,5-dimethylphenyl)-N-ethyl-2-thiophen-2-ylethanamine has a molecular weight of 259.42 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-N-ethyl-2-thiophen-2-ylethanamine is sourced from PubChem (CID 61064099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).