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

C14H17NS — CID 61028896

IUPAC2-(3,5-dimethylphenyl)-1-thiophen-3-ylethanamine
SMILESCc1cc(C)cc(CC(N)c2ccsc2)c1
InChIInChI=1S/C14H17NS/c1-10-5-11(2)7-12(6-10)8-14(15)13-3-4-16-9-13/h3-7,9,14H,8,15H2,1-2H3
InChIKeyYUBDZLNDZVYNHT-UHFFFAOYSA-N
MW231.36 g/mol
LogP3.61
Rot. Bonds3

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

2-(3,5-dimethylphenyl)-1-thiophen-3-ylethanamine (PubChem CID 61028896) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-1-thiophen-3-ylethanamine.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-1-thiophen-3-ylethanamine
PubChem CID61028896
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC Name2-(3,5-dimethylphenyl)-1-thiophen-3-ylethanamine
SMILESCc1cc(C)cc(CC(N)c2ccsc2)c1
InChIInChI=1S/C14H17NS/c1-10-5-11(2)7-12(6-10)8-14(15)13-3-4-16-9-13/h3-7,9,14H,8,15H2,1-2H3
InChIKeyYUBDZLNDZVYNHT-UHFFFAOYSA-N
XLogP3.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-bis(3,5-dimethylphenyl)ethanamine
CID 55096005
2-(3,5-dimethylphenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 115800677
1-(3,4-dimethylphenyl)-2-(3,5-dimethylphenyl)ethanamine
CID 62595747
2-(3,5-dimethylphenyl)-1-pyridin-4-ylethanamine
CID 54911208
2-(3-bromo-4-methoxyphenyl)-1-thiophen-3-ylethanamine
CID 54971373
1-(3,4-dimethylphenyl)-2-thiophen-3-ylethanamine
CID 61079569
(1R)-1-thiophen-3-ylpropan-1-amine;hydrochloride
CID 171210593
2-(3,5-dimethylphenyl)-1-(3-fluorophenyl)ethanamine
CID 61030374
1-(3,5-dimethylphenyl)-2-phenylethanamine
CID 60917697
1-thiophen-3-ylhexan-1-amine;hydrochloride
CID 86262846
(1R)-3-ethyl-1-thiophen-3-ylpentan-1-amine
CID 99621448
(1R)-2-(3,5-dimethylphenyl)-1-(3-methoxyphenyl)ethanamine
CID 93461868

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-1-thiophen-3-ylethanamine?
The IUPAC name of 2-(3,5-dimethylphenyl)-1-thiophen-3-ylethanamine (CID 61028896) is 2-(3,5-dimethylphenyl)-1-thiophen-3-ylethanamine.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-1-thiophen-3-ylethanamine?
The canonical SMILES for 2-(3,5-dimethylphenyl)-1-thiophen-3-ylethanamine is Cc1cc(C)cc(CC(N)c2ccsc2)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-1-thiophen-3-ylethanamine?
The InChIKey is YUBDZLNDZVYNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS/c1-10-5-11(2)7-12(6-10)8-14(15)13-3-4-16-9-13/h3-7,9,14H,8,15H2,1-2H3.
What are the key properties of 2-(3,5-dimethylphenyl)-1-thiophen-3-ylethanamine?
2-(3,5-dimethylphenyl)-1-thiophen-3-ylethanamine has a molecular weight of 231.36 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-1-thiophen-3-ylethanamine is sourced from PubChem (CID 61028896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).