2-(2-methylphenyl)-4-thiophen-2-ylbutan-2-amine

C15H19NS — CID 55235928

IUPAC2-(2-methylphenyl)-4-thiophen-2-ylbutan-2-amine
SMILESCc1ccccc1C(C)(N)CCc1cccs1
InChIInChI=1S/C15H19NS/c1-12-6-3-4-8-14(12)15(2,16)10-9-13-7-5-11-17-13/h3-8,11H,9-10,16H2,1-2H3
InChIKeyPDXFOUFSRMUPCP-UHFFFAOYSA-N
MW245.39 g/mol
LogP3.86
Rot. Bonds4

About 2-(2-methylphenyl)-4-thiophen-2-ylbutan-2-amine

2-(2-methylphenyl)-4-thiophen-2-ylbutan-2-amine (PubChem CID 55235928) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is 2-(2-methylphenyl)-4-thiophen-2-ylbutan-2-amine.

Molecular Properties

Compound Name2-(2-methylphenyl)-4-thiophen-2-ylbutan-2-amine
PubChem CID55235928
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC Name2-(2-methylphenyl)-4-thiophen-2-ylbutan-2-amine
SMILESCc1ccccc1C(C)(N)CCc1cccs1
InChIInChI=1S/C15H19NS/c1-12-6-3-4-8-14(12)15(2,16)10-9-13-7-5-11-17-13/h3-8,11H,9-10,16H2,1-2H3
InChIKeyPDXFOUFSRMUPCP-UHFFFAOYSA-N
XLogP3.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethylphenyl)-4-thiophen-2-ylbutan-2-amine
CID 63774402
2-(4-methylphenyl)-4-thiophen-2-ylbutan-2-ol
CID 65145168
2-(2-fluorophenyl)-1-thiophen-2-ylpropan-2-amine
CID 62621819
2-(3,3-dimethylheptyl)thiophene
CID 57210788
2-butylthiophene;methanamine
CID 143080300
3-methyl-1-N-(2-thiophen-2-ylethyl)butane-1,3-diamine
CID 115200758
2-methyl-1-thiophen-2-ylpropan-2-amine
CID 13096683
1-(2-methylphenyl)-4-thiophen-2-ylbutan-2-amine
CID 63774241
N-ethyl-2,2-dimethyl-4-thiophen-2-ylbutan-1-amine
CID 63774462
2-[3-(chloromethyl)-3-methylhexyl]thiophene
CID 66034465
4-(2-thiophen-2-ylethyl)heptan-4-ol
CID 114865888
2-methyl-6-thiophen-2-ylhexan-2-ol
CID 96656971

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-4-thiophen-2-ylbutan-2-amine?
The IUPAC name of 2-(2-methylphenyl)-4-thiophen-2-ylbutan-2-amine (CID 55235928) is 2-(2-methylphenyl)-4-thiophen-2-ylbutan-2-amine.
What is the SMILES notation for 2-(2-methylphenyl)-4-thiophen-2-ylbutan-2-amine?
The canonical SMILES for 2-(2-methylphenyl)-4-thiophen-2-ylbutan-2-amine is Cc1ccccc1C(C)(N)CCc1cccs1.
What is the InChIKey of 2-(2-methylphenyl)-4-thiophen-2-ylbutan-2-amine?
The InChIKey is PDXFOUFSRMUPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c1-12-6-3-4-8-14(12)15(2,16)10-9-13-7-5-11-17-13/h3-8,11H,9-10,16H2,1-2H3.
What are the key properties of 2-(2-methylphenyl)-4-thiophen-2-ylbutan-2-amine?
2-(2-methylphenyl)-4-thiophen-2-ylbutan-2-amine has a molecular weight of 245.39 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-4-thiophen-2-ylbutan-2-amine is sourced from PubChem (CID 55235928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).