2-(3,5-dimethylphenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine

C16H21NS — CID 115800599

IUPAC2-(3,5-dimethylphenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine
SMILESCc1cc(C)cc(CC(N)c2cc(C)c(C)s2)c1
InChIInChI=1S/C16H21NS/c1-10-5-11(2)7-14(6-10)9-15(17)16-8-12(3)13(4)18-16/h5-8,15H,9,17H2,1-4H3
InChIKeySBRNBZDDIIFDDR-UHFFFAOYSA-N
MW259.42 g/mol
LogP4.22
Rot. Bonds3

About 2-(3,5-dimethylphenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine

2-(3,5-dimethylphenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine (PubChem CID 115800599) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine
PubChem CID115800599
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC Name2-(3,5-dimethylphenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine
SMILESCc1cc(C)cc(CC(N)c2cc(C)c(C)s2)c1
InChIInChI=1S/C16H21NS/c1-10-5-11(2)7-14(6-10)9-15(17)16-8-12(3)13(4)18-16/h5-8,15H,9,17H2,1-4H3
InChIKeySBRNBZDDIIFDDR-UHFFFAOYSA-N
XLogP4.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dimethylphenyl)-(4,5-dimethylthiophen-2-yl)methanamine
CID 115797230
1-(4,5-dimethylthiophen-2-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115829855
1,2-bis(3,5-dimethylphenyl)ethanamine
CID 55096005
1-(4,5-dimethylthiophen-2-yl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826649
1-(4,5-dimethylthiophen-2-yl)-2-(furan-2-yl)ethanamine
CID 105029526
2-(2-chlorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine
CID 65239408
2-(3-bromothiophen-2-yl)-1-(4,5-dimethylthiophen-2-yl)ethanamine
CID 115849148
1-(4,5-dimethylthiophen-2-yl)-2-pyridin-2-ylethanamine
CID 65239417
2-(2,5-difluorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine
CID 115810291
1-(4,5-dimethylthiophen-2-yl)-3-phenylpropan-1-amine
CID 115794294
1-(2,5-dibromothiophen-3-yl)-2-(3,5-dimethylphenyl)ethanamine
CID 107967937
1-(3,4-dimethylphenyl)-2-(3,5-dimethylphenyl)ethanamine
CID 62595747

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(3,5-dimethylphenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine (CID 115800599) is 2-(3,5-dimethylphenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(3,5-dimethylphenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine is Cc1cc(C)cc(CC(N)c2cc(C)c(C)s2)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine?
The InChIKey is SBRNBZDDIIFDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-10-5-11(2)7-14(6-10)9-15(17)16-8-12(3)13(4)18-16/h5-8,15H,9,17H2,1-4H3.
What are the key properties of 2-(3,5-dimethylphenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine?
2-(3,5-dimethylphenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine has a molecular weight of 259.42 g/mol, XLogP of 4.22, 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-(4,5-dimethylthiophen-2-yl)ethanamine is sourced from PubChem (CID 115800599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).