1-(2-methylphenyl)-4-thiophen-2-ylbutan-2-amine

C15H19NS — CID 63774241

IUPAC1-(2-methylphenyl)-4-thiophen-2-ylbutan-2-amine
SMILESCc1ccccc1CC(N)CCc1cccs1
InChIInChI=1S/C15H19NS/c1-12-5-2-3-6-13(12)11-14(16)8-9-15-7-4-10-17-15/h2-7,10,14H,8-9,11,16H2,1H3
InChIKeyDNQLHDMBUICCSY-UHFFFAOYSA-N
MW245.39 g/mol
LogP3.56
Rot. Bonds5

About 1-(2-methylphenyl)-4-thiophen-2-ylbutan-2-amine

1-(2-methylphenyl)-4-thiophen-2-ylbutan-2-amine (PubChem CID 63774241) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is 1-(2-methylphenyl)-4-thiophen-2-ylbutan-2-amine.

Molecular Properties

Compound Name1-(2-methylphenyl)-4-thiophen-2-ylbutan-2-amine
PubChem CID63774241
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC Name1-(2-methylphenyl)-4-thiophen-2-ylbutan-2-amine
SMILESCc1ccccc1CC(N)CCc1cccs1
InChIInChI=1S/C15H19NS/c1-12-5-2-3-6-13(12)11-14(16)8-9-15-7-4-10-17-15/h2-7,10,14H,8-9,11,16H2,1H3
InChIKeyDNQLHDMBUICCSY-UHFFFAOYSA-N
XLogP3.56
TPSA26.02 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 ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-4-thiophen-2-ylbutan-2-amine
CID 63776300
1-(2-methylphenyl)-4-pyridin-4-ylbutan-2-amine
CID 105092013
N-methyl-1-(2-methylphenyl)-5-thiophen-2-ylpentan-2-amine
CID 61065069
1-(2-bromophenyl)-5-thiophen-2-ylpentan-2-amine
CID 105087550
5-methyl-1-(2-methylphenyl)hexan-2-amine
CID 61077626
1-(4-chlorophenyl)-4-thiophen-2-ylbutan-2-amine
CID 63774417
1-(2-methylphenyl)-N-propyl-5-thiophen-2-ylpentan-3-amine
CID 105150378
1-N,1-N-dimethyl-5-thiophen-2-ylpentane-1,3-diamine
CID 115346068
1-(2-chlorophenyl)-4-(2-methylphenyl)butan-2-amine
CID 62367436
7-(2-methylphenyl)heptane-1,6-diamine
CID 154389351
1-methylsulfonyl-4-thiophen-2-ylbutan-2-amine
CID 115618327
1-(5-bromothiophen-2-yl)-4-(2-methylphenyl)butan-2-amine
CID 105134771

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-4-thiophen-2-ylbutan-2-amine?
The IUPAC name of 1-(2-methylphenyl)-4-thiophen-2-ylbutan-2-amine (CID 63774241) is 1-(2-methylphenyl)-4-thiophen-2-ylbutan-2-amine.
What is the SMILES notation for 1-(2-methylphenyl)-4-thiophen-2-ylbutan-2-amine?
The canonical SMILES for 1-(2-methylphenyl)-4-thiophen-2-ylbutan-2-amine is Cc1ccccc1CC(N)CCc1cccs1.
What is the InChIKey of 1-(2-methylphenyl)-4-thiophen-2-ylbutan-2-amine?
The InChIKey is DNQLHDMBUICCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c1-12-5-2-3-6-13(12)11-14(16)8-9-15-7-4-10-17-15/h2-7,10,14H,8-9,11,16H2,1H3.
What are the key properties of 1-(2-methylphenyl)-4-thiophen-2-ylbutan-2-amine?
1-(2-methylphenyl)-4-thiophen-2-ylbutan-2-amine has a molecular weight of 245.39 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-4-thiophen-2-ylbutan-2-amine is sourced from PubChem (CID 63774241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).