2-(2,5-dimethylphenyl)-N-(thiophen-2-ylmethyl)ethanamine

C15H19NS — CID 62538017

IUPAC2-(2,5-dimethylphenyl)-N-(thiophen-2-ylmethyl)ethanamine
SMILESCc1ccc(C)c(CCNCc2cccs2)c1
InChIInChI=1S/C15H19NS/c1-12-5-6-13(2)14(10-12)7-8-16-11-15-4-3-9-17-15/h3-6,9-10,16H,7-8,11H2,1-2H3
InChIKeyJMGRJPVDDVECRF-UHFFFAOYSA-N
MW245.39 g/mol
LogP3.70
Rot. Bonds5

About 2-(2,5-dimethylphenyl)-N-(thiophen-2-ylmethyl)ethanamine

2-(2,5-dimethylphenyl)-N-(thiophen-2-ylmethyl)ethanamine (PubChem CID 62538017) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-N-(thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-N-(thiophen-2-ylmethyl)ethanamine
PubChem CID62538017
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC Name2-(2,5-dimethylphenyl)-N-(thiophen-2-ylmethyl)ethanamine
SMILESCc1ccc(C)c(CCNCc2cccs2)c1
InChIInChI=1S/C15H19NS/c1-12-5-6-13(2)14(10-12)7-8-16-11-15-4-3-9-17-15/h3-6,9-10,16H,7-8,11H2,1-2H3
InChIKeyJMGRJPVDDVECRF-UHFFFAOYSA-N
XLogP3.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(thiophen-2-ylmethyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 54805900
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-thiophen-2-ylethanamine
CID 65244071
2-(1,5-dimethylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 115702961
2-(2,5-dimethylphenyl)-N-ethylethanamine
CID 62537525
2-(2-chloro-5-methylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine
CID 39381817
N-[[3-(aminomethyl)phenyl]methyl]-2-(2,5-dimethylphenyl)ethanamine
CID 115213050
N'-methyl-N'-[(2-methylphenyl)methyl]-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62556651
1-(2,5-dimethylphenyl)-5-thiophen-2-ylpentan-2-one
CID 62538353
1-N-[2-(2,5-dimethylphenyl)ethyl]-2-methylpropane-1,2-diamine
CID 115136100
2-(5-methyl-2-propan-2-ylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine
CID 54798989
1-(2,5-dimethylphenyl)-N-propyl-4-thiophen-2-ylbutan-2-amine
CID 115860977
2-[4-chloro-5-(2,5-dimethylphenyl)pentyl]thiophene
CID 63544769

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-N-(thiophen-2-ylmethyl)ethanamine?
The IUPAC name of 2-(2,5-dimethylphenyl)-N-(thiophen-2-ylmethyl)ethanamine (CID 62538017) is 2-(2,5-dimethylphenyl)-N-(thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-N-(thiophen-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(2,5-dimethylphenyl)-N-(thiophen-2-ylmethyl)ethanamine is Cc1ccc(C)c(CCNCc2cccs2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-N-(thiophen-2-ylmethyl)ethanamine?
The InChIKey is JMGRJPVDDVECRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c1-12-5-6-13(2)14(10-12)7-8-16-11-15-4-3-9-17-15/h3-6,9-10,16H,7-8,11H2,1-2H3.
What are the key properties of 2-(2,5-dimethylphenyl)-N-(thiophen-2-ylmethyl)ethanamine?
2-(2,5-dimethylphenyl)-N-(thiophen-2-ylmethyl)ethanamine has a molecular weight of 245.39 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-N-(thiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 62538017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).