1-(5-bromothiophen-2-yl)-4-(2-methylphenyl)butan-2-amine

C15H18BrNS — CID 105134771

IUPAC1-(5-bromothiophen-2-yl)-4-(2-methylphenyl)butan-2-amine
SMILESCc1ccccc1CCC(N)Cc1ccc(Br)s1
InChIInChI=1S/C15H18BrNS/c1-11-4-2-3-5-12(11)6-7-13(17)10-14-8-9-15(16)18-14/h2-5,8-9,13H,6-7,10,17H2,1H3
InChIKeyAIACBRJIBJIYEM-UHFFFAOYSA-N
MW324.29 g/mol
LogP4.32
Rot. Bonds5

About 1-(5-bromothiophen-2-yl)-4-(2-methylphenyl)butan-2-amine

1-(5-bromothiophen-2-yl)-4-(2-methylphenyl)butan-2-amine (PubChem CID 105134771) has the molecular formula C15H18BrNS and a molecular weight of 324.29 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-4-(2-methylphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-4-(2-methylphenyl)butan-2-amine
PubChem CID105134771
Molecular FormulaC15H18BrNS
Molecular Weight324.29 g/mol
Exact Mass323.03
IUPAC Name1-(5-bromothiophen-2-yl)-4-(2-methylphenyl)butan-2-amine
SMILESCc1ccccc1CCC(N)Cc1ccc(Br)s1
InChIInChI=1S/C15H18BrNS/c1-11-4-2-3-5-12(11)6-7-13(17)10-14-8-9-15(16)18-14/h2-5,8-9,13H,6-7,10,17H2,1H3
InChIKeyAIACBRJIBJIYEM-UHFFFAOYSA-N
XLogP4.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromothiophen-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 66098427
1-(5-bromothiophen-2-yl)butan-2-amine
CID 43565983
1-(2-chlorophenyl)-4-(2-methylphenyl)butan-2-amine
CID 62367436
N-[(5-bromothiophen-2-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 78911502
1-(5-bromothiophen-2-yl)-4-phenoxybutan-2-amine
CID 62606413
1-(5-bromothiophen-2-yl)-5-methoxyhexan-2-amine
CID 105134782
1-(2-methylphenyl)-4-thiophen-2-ylbutan-2-amine
CID 63774241
1-(2-methylphenyl)heptan-3-amine
CID 105125604
2-[(5-bromothiophen-2-yl)methyl]-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 63521943
3-(5-bromothiophen-2-yl)-2-(2-methylphenyl)propan-1-ol
CID 79420784
4,4-dimethyl-1-(2-methylphenyl)pentan-3-amine
CID 43175879
4-methyl-1-(2-methylphenyl)pentan-3-amine
CID 43175902

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-4-(2-methylphenyl)butan-2-amine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-4-(2-methylphenyl)butan-2-amine (CID 105134771) is 1-(5-bromothiophen-2-yl)-4-(2-methylphenyl)butan-2-amine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-4-(2-methylphenyl)butan-2-amine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-4-(2-methylphenyl)butan-2-amine is Cc1ccccc1CCC(N)Cc1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-4-(2-methylphenyl)butan-2-amine?
The InChIKey is AIACBRJIBJIYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNS/c1-11-4-2-3-5-12(11)6-7-13(17)10-14-8-9-15(16)18-14/h2-5,8-9,13H,6-7,10,17H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-4-(2-methylphenyl)butan-2-amine?
1-(5-bromothiophen-2-yl)-4-(2-methylphenyl)butan-2-amine has a molecular weight of 324.29 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-4-(2-methylphenyl)butan-2-amine is sourced from PubChem (CID 105134771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).