2-(3,5-dimethylphenyl)-N-ethyl-1-thiophen-2-ylethanamine

C16H21NS — CID 54911205

IUPAC2-(3,5-dimethylphenyl)-N-ethyl-1-thiophen-2-ylethanamine
SMILESCCNC(Cc1cc(C)cc(C)c1)c1cccs1
InChIInChI=1S/C16H21NS/c1-4-17-15(16-6-5-7-18-16)11-14-9-12(2)8-13(3)10-14/h5-10,15,17H,4,11H2,1-3H3
InChIKeyUWPMRKCGVDGNJK-UHFFFAOYSA-N
MW259.42 g/mol
LogP4.26
Rot. Bonds5

About 2-(3,5-dimethylphenyl)-N-ethyl-1-thiophen-2-ylethanamine

2-(3,5-dimethylphenyl)-N-ethyl-1-thiophen-2-ylethanamine (PubChem CID 54911205) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-N-ethyl-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-N-ethyl-1-thiophen-2-ylethanamine
PubChem CID54911205
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC Name2-(3,5-dimethylphenyl)-N-ethyl-1-thiophen-2-ylethanamine
SMILESCCNC(Cc1cc(C)cc(C)c1)c1cccs1
InChIInChI=1S/C16H21NS/c1-4-17-15(16-6-5-7-18-16)11-14-9-12(2)8-13(3)10-14/h5-10,15,17H,4,11H2,1-3H3
InChIKeyUWPMRKCGVDGNJK-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

(1R)-N-ethyl-2-(4-methylphenyl)-1-thiophen-2-ylethanamine
CID 92968196
N-ethyl-2-phenyl-1-thiophen-2-ylethanamine;hydrochloride
CID 3061989
2-(3-bromophenyl)-N-ethyl-1-thiophen-2-ylethanamine
CID 60818969
2-(2,5-dimethylphenyl)-N-ethyl-1-thiophen-2-ylethanamine
CID 61481816
N-ethyl-2-(4-propan-2-ylphenyl)-1-thiophen-2-ylethanamine
CID 55095629
N-ethyl-1,2-dithiophen-2-ylethanamine
CID 43755169
N-ethyl-2-(2-methylphenyl)-1-thiophen-2-ylethanamine
CID 43490566
(1S)-N-[(3,5-dimethylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 81398150
N-ethyl-4-methyl-1-thiophen-2-ylpentan-1-amine
CID 43490552
2-(3,5-dimethylphenyl)-N-ethyl-1-(2-methoxy-3-pyridinyl)ethanamine
CID 105099080
N-ethyl-1-thiophen-2-ylundecan-1-amine
CID 55186605
[2-(4-methylphenyl)-1-thiophen-2-ylethyl]hydrazine
CID 105193700

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-N-ethyl-1-thiophen-2-ylethanamine?
The IUPAC name of 2-(3,5-dimethylphenyl)-N-ethyl-1-thiophen-2-ylethanamine (CID 54911205) is 2-(3,5-dimethylphenyl)-N-ethyl-1-thiophen-2-ylethanamine.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-N-ethyl-1-thiophen-2-ylethanamine?
The canonical SMILES for 2-(3,5-dimethylphenyl)-N-ethyl-1-thiophen-2-ylethanamine is CCNC(Cc1cc(C)cc(C)c1)c1cccs1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-N-ethyl-1-thiophen-2-ylethanamine?
The InChIKey is UWPMRKCGVDGNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-4-17-15(16-6-5-7-18-16)11-14-9-12(2)8-13(3)10-14/h5-10,15,17H,4,11H2,1-3H3.
What are the key properties of 2-(3,5-dimethylphenyl)-N-ethyl-1-thiophen-2-ylethanamine?
2-(3,5-dimethylphenyl)-N-ethyl-1-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 2-(3,5-dimethylphenyl)-N-ethyl-1-thiophen-2-ylethanamine is sourced from PubChem (CID 54911205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).