1-(3,4-dimethylphenyl)-2-thiophen-3-ylethanamine

C14H17NS — CID 61079569

IUPAC1-(3,4-dimethylphenyl)-2-thiophen-3-ylethanamine
SMILESCc1ccc(C(N)Cc2ccsc2)cc1C
InChIInChI=1S/C14H17NS/c1-10-3-4-13(7-11(10)2)14(15)8-12-5-6-16-9-12/h3-7,9,14H,8,15H2,1-2H3
InChIKeyRSBDQIGAKGWTGP-UHFFFAOYSA-N
MW231.36 g/mol
LogP3.61
Rot. Bonds3

About 1-(3,4-dimethylphenyl)-2-thiophen-3-ylethanamine

1-(3,4-dimethylphenyl)-2-thiophen-3-ylethanamine (PubChem CID 61079569) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-thiophen-3-ylethanamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-thiophen-3-ylethanamine
PubChem CID61079569
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC Name1-(3,4-dimethylphenyl)-2-thiophen-3-ylethanamine
SMILESCc1ccc(C(N)Cc2ccsc2)cc1C
InChIInChI=1S/C14H17NS/c1-10-3-4-13(7-11(10)2)14(15)8-12-5-6-16-9-12/h3-7,9,14H,8,15H2,1-2H3
InChIKeyRSBDQIGAKGWTGP-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-(5-bromo-2-methylphenyl)-2-thiophen-3-ylethanamine
CID 65307292
1-(3,4-dimethylphenyl)-2-(3,5-dimethylphenyl)ethanamine
CID 62595747
1-(2,3-dihydro-1H-inden-5-yl)-2-thiophen-3-ylethanamine
CID 61078821
1-(5-chloro-2-methylphenyl)-2-thiophen-3-ylethanamine
CID 82883386
1-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethanamine
CID 43149151
1-(3,4-dimethylphenyl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 43753496
2-(3,5-dimethylphenyl)-1-thiophen-3-ylethanamine
CID 61028896
1-(3,4-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 62115577
[1-(3-methoxy-4-methylphenyl)-2-thiophen-3-ylethyl]hydrazine
CID 105297667
2-(2,3-dihydro-1H-inden-5-yl)-1-(3,4-dimethylphenyl)ethanamine
CID 115864878
2-(3-bromothiophen-2-yl)-1-(3,4-dimethylphenyl)ethanamine
CID 115848840
1-(4-bromo-3-methylphenyl)-2-thiophen-3-ylethanol
CID 81446687

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-thiophen-3-ylethanamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-thiophen-3-ylethanamine (CID 61079569) is 1-(3,4-dimethylphenyl)-2-thiophen-3-ylethanamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-thiophen-3-ylethanamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-thiophen-3-ylethanamine is Cc1ccc(C(N)Cc2ccsc2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-thiophen-3-ylethanamine?
The InChIKey is RSBDQIGAKGWTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS/c1-10-3-4-13(7-11(10)2)14(15)8-12-5-6-16-9-12/h3-7,9,14H,8,15H2,1-2H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2-thiophen-3-ylethanamine?
1-(3,4-dimethylphenyl)-2-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 1-(3,4-dimethylphenyl)-2-thiophen-3-ylethanamine is sourced from PubChem (CID 61079569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).