2-[4-[[5-(3,4-dimethylphenyl)thiophen-3-yl]methyl]-2,5-dimethylphenyl]ethanamine

C23H27NS — CID 144794699

IUPAC2-[4-[[5-(3,4-dimethylphenyl)thiophen-3-yl]methyl]-2,5-dimethylphenyl]ethanamine
SMILESCc1ccc(-c2cc(Cc3cc(C)c(CCN)cc3C)cs2)cc1C
InChIInChI=1S/C23H27NS/c1-15-5-6-21(9-16(15)2)23-13-19(14-25-23)12-22-11-17(3)20(7-8-24)10-18(22)4/h5-6,9-11,13-14H,7-8,12,24H2,1-4H3
InChIKeyDLERKEQLIPQKJO-UHFFFAOYSA-N
MW349.54 g/mol
LogP5.74
Rot. Bonds5

About 2-[4-[[5-(3,4-dimethylphenyl)thiophen-3-yl]methyl]-2,5-dimethylphenyl]ethanamine

2-[4-[[5-(3,4-dimethylphenyl)thiophen-3-yl]methyl]-2,5-dimethylphenyl]ethanamine (PubChem CID 144794699) has the molecular formula C23H27NS and a molecular weight of 349.54 g/mol. Its IUPAC name is 2-[4-[[5-(3,4-dimethylphenyl)thiophen-3-yl]methyl]-2,5-dimethylphenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[[5-(3,4-dimethylphenyl)thiophen-3-yl]methyl]-2,5-dimethylphenyl]ethanamine
PubChem CID144794699
Molecular FormulaC23H27NS
Molecular Weight349.54 g/mol
Exact Mass349.19
IUPAC Name2-[4-[[5-(3,4-dimethylphenyl)thiophen-3-yl]methyl]-2,5-dimethylphenyl]ethanamine
SMILESCc1ccc(-c2cc(Cc3cc(C)c(CCN)cc3C)cs2)cc1C
InChIInChI=1S/C23H27NS/c1-15-5-6-21(9-16(15)2)23-13-19(14-25-23)12-22-11-17(3)20(7-8-24)10-18(22)4/h5-6,9-11,13-14H,7-8,12,24H2,1-4H3
InChIKeyDLERKEQLIPQKJO-UHFFFAOYSA-N
XLogP5.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.54
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[4-[[5-(3,4-dimethylphenyl)thiophen-3-yl]methyl]-2,5-dimethylphenyl]ethanamine with MolForge

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Related Compounds

[4-(Thiophen-2-yl)phenyl]methanamine
CID 2776332
(3S)-N-methyl-3-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine;hydrochloride
CID 44569433
[3-(Thiophen-3-yl)phenyl]methanamine
CID 19916941
(3R)-N-methyl-3-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine;hydrochloride
CID 44569431
(4R)-N-methyl-4-naphthalen-1-yl-4-thiophen-2-ylbutan-1-amine;hydrochloride
CID 44569435
(4S)-N-methyl-4-naphthalen-1-yl-4-thiophen-2-ylbutan-1-amine;hydrochloride
CID 44569437
1-(5,6,7,8-Tetrahydronaphthalen-2-yl)-1-(thiophen-2-yl)methanamine
CID 16227043
8-[5-[[2-(Aminomethyl)phenyl]methyl]thiophen-2-yl]octan-1-amine
CID 16126040
(4-Thien-3-ylphenyl)methylamine
CID 18525830
N-methyl-2-(naphthalen-2-yl)-3-(thiophen-2-yl)propan-1-amine
CID 86288525
(2S)-N-methyl-3-(5-methylthiophen-2-yl)-2-naphthalen-2-ylpropan-1-amine
CID 86288601
N-methyl-3-(5-methylthiophen-2-yl)-2-naphthalen-2-ylpropan-1-amine
CID 117605014

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-(3,4-dimethylphenyl)thiophen-3-yl]methyl]-2,5-dimethylphenyl]ethanamine?
The IUPAC name of 2-[4-[[5-(3,4-dimethylphenyl)thiophen-3-yl]methyl]-2,5-dimethylphenyl]ethanamine (CID 144794699) is 2-[4-[[5-(3,4-dimethylphenyl)thiophen-3-yl]methyl]-2,5-dimethylphenyl]ethanamine.
What is the SMILES notation for 2-[4-[[5-(3,4-dimethylphenyl)thiophen-3-yl]methyl]-2,5-dimethylphenyl]ethanamine?
The canonical SMILES for 2-[4-[[5-(3,4-dimethylphenyl)thiophen-3-yl]methyl]-2,5-dimethylphenyl]ethanamine is Cc1ccc(-c2cc(Cc3cc(C)c(CCN)cc3C)cs2)cc1C.
What is the InChIKey of 2-[4-[[5-(3,4-dimethylphenyl)thiophen-3-yl]methyl]-2,5-dimethylphenyl]ethanamine?
The InChIKey is DLERKEQLIPQKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NS/c1-15-5-6-21(9-16(15)2)23-13-19(14-25-23)12-22-11-17(3)20(7-8-24)10-18(22)4/h5-6,9-11,13-14H,7-8,12,24H2,1-4H3.
What are the key properties of 2-[4-[[5-(3,4-dimethylphenyl)thiophen-3-yl]methyl]-2,5-dimethylphenyl]ethanamine?
2-[4-[[5-(3,4-dimethylphenyl)thiophen-3-yl]methyl]-2,5-dimethylphenyl]ethanamine has a molecular weight of 349.54 g/mol, XLogP of 5.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-(3,4-dimethylphenyl)thiophen-3-yl]methyl]-2,5-dimethylphenyl]ethanamine is sourced from PubChem (CID 144794699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).