3,5-dimethyl-N-(2-thiophen-2-ylethyl)aniline

C14H17NS — CID 63774162

IUPAC3,5-dimethyl-N-(2-thiophen-2-ylethyl)aniline
SMILESCc1cc(C)cc(NCCc2cccs2)c1
InChIInChI=1S/C14H17NS/c1-11-8-12(2)10-13(9-11)15-6-5-14-4-3-7-16-14/h3-4,7-10,15H,5-6H2,1-2H3
InChIKeyKSJVFDZAZSQRSY-UHFFFAOYSA-N
MW231.36 g/mol
LogP4.02
Rot. Bonds4

About 3,5-dimethyl-N-(2-thiophen-2-ylethyl)aniline

3,5-dimethyl-N-(2-thiophen-2-ylethyl)aniline (PubChem CID 63774162) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is 3,5-dimethyl-N-(2-thiophen-2-ylethyl)aniline.

Molecular Properties

Compound Name3,5-dimethyl-N-(2-thiophen-2-ylethyl)aniline
PubChem CID63774162
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC Name3,5-dimethyl-N-(2-thiophen-2-ylethyl)aniline
SMILESCc1cc(C)cc(NCCc2cccs2)c1
InChIInChI=1S/C14H17NS/c1-11-8-12(2)10-13(9-11)15-6-5-14-4-3-7-16-14/h3-4,7-10,15H,5-6H2,1-2H3
InChIKeyKSJVFDZAZSQRSY-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dimethyl-N-(2-thiophen-2-ylethyl)aniline
CID 63773614
3-bromo-4-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 63775490
3-bromo-5-methoxy-N-(2-thiophen-2-ylethyl)aniline
CID 82868460
4-ethyl-3-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 114250199
4-methoxy-3-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 55237863
4-iodo-N-(2-thiophen-2-ylethyl)aniline
CID 63775663
2-methyl-N-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)aniline
CID 66476593
1-[3-(2-thiophen-2-ylethylamino)phenyl]ethanol
CID 83962994
3-propan-2-yloxy-N-(2-thiophen-2-ylethyl)aniline
CID 83961408
N'-methyl-N-(3-methylphenyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62560213
3-fluoro-5-nitro-N-(2-thiophen-2-ylethyl)aniline
CID 60877639
4-(ethylsulfanylmethyl)-N-(2-thiophen-2-ylethyl)aniline
CID 83961211

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(2-thiophen-2-ylethyl)aniline?
The IUPAC name of 3,5-dimethyl-N-(2-thiophen-2-ylethyl)aniline (CID 63774162) is 3,5-dimethyl-N-(2-thiophen-2-ylethyl)aniline.
What is the SMILES notation for 3,5-dimethyl-N-(2-thiophen-2-ylethyl)aniline?
The canonical SMILES for 3,5-dimethyl-N-(2-thiophen-2-ylethyl)aniline is Cc1cc(C)cc(NCCc2cccs2)c1.
What is the InChIKey of 3,5-dimethyl-N-(2-thiophen-2-ylethyl)aniline?
The InChIKey is KSJVFDZAZSQRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS/c1-11-8-12(2)10-13(9-11)15-6-5-14-4-3-7-16-14/h3-4,7-10,15H,5-6H2,1-2H3.
What are the key properties of 3,5-dimethyl-N-(2-thiophen-2-ylethyl)aniline?
3,5-dimethyl-N-(2-thiophen-2-ylethyl)aniline has a molecular weight of 231.36 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(2-thiophen-2-ylethyl)aniline is sourced from PubChem (CID 63774162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).