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

C14H17NS — CID 65099237

IUPAC1-(3,4-dimethylphenyl)-1-thiophen-3-ylethanamine
SMILESCc1ccc(C(C)(N)c2ccsc2)cc1C
InChIInChI=1S/C14H17NS/c1-10-4-5-12(8-11(10)2)14(3,15)13-6-7-16-9-13/h4-9H,15H2,1-3H3
InChIKeyULHWWIFOEMYUDA-UHFFFAOYSA-N
MW231.36 g/mol
LogP3.59
Rot. Bonds2

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

1-(3,4-dimethylphenyl)-1-thiophen-3-ylethanamine (PubChem CID 65099237) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-1-thiophen-3-ylethanamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-1-thiophen-3-ylethanamine
PubChem CID65099237
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC Name1-(3,4-dimethylphenyl)-1-thiophen-3-ylethanamine
SMILESCc1ccc(C(C)(N)c2ccsc2)cc1C
InChIInChI=1S/C14H17NS/c1-10-4-5-12(8-11(10)2)14(3,15)13-6-7-16-9-13/h4-9H,15H2,1-3H3
InChIKeyULHWWIFOEMYUDA-UHFFFAOYSA-N
XLogP3.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 63411446
2,3-dimethyl-3-thiophen-3-ylbutan-2-amine
CID 18719736
(2R)-1,1,1-trifluoro-2-thiophen-3-ylpropan-2-amine
CID 131081620
1-(2-fluorophenyl)-1-thiophen-3-ylethanamine
CID 65099629
1-(3,4-dimethylphenyl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 66274369
4-(3,4-dimethylphenyl)-4,4-difluoro-2-methylbutan-2-amine
CID 116839496
1-(2,4-dichloro-5-fluorophenyl)-1-thiophen-3-ylethanamine
CID 65100095
ethane;2-thiophen-3-ylpropan-2-ol
CID 144659448
1-(3-chloro-4-methylphenyl)-1-(4-chlorophenyl)ethanamine
CID 107559750
2-amino-2-(3,4-dimethylphenyl)propanoic acid
CID 24711823
3-thiophen-3-ylpentan-3-amine
CID 65099925
1-(4-bromothiophen-2-yl)-2-(3,4-dimethylphenyl)propan-2-amine
CID 62621109

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-1-thiophen-3-ylethanamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-1-thiophen-3-ylethanamine (CID 65099237) is 1-(3,4-dimethylphenyl)-1-thiophen-3-ylethanamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-1-thiophen-3-ylethanamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-1-thiophen-3-ylethanamine is Cc1ccc(C(C)(N)c2ccsc2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-1-thiophen-3-ylethanamine?
The InChIKey is ULHWWIFOEMYUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS/c1-10-4-5-12(8-11(10)2)14(3,15)13-6-7-16-9-13/h4-9H,15H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-1-thiophen-3-ylethanamine?
1-(3,4-dimethylphenyl)-1-thiophen-3-ylethanamine has a molecular weight of 231.36 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-1-thiophen-3-ylethanamine is sourced from PubChem (CID 65099237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).