N-methyl-1-[5-(2,4,6-tribromophenyl)thiophen-2-yl]butan-1-amine

C15H16Br3NS — CID 43288060

IUPACN-methyl-1-[5-(2,4,6-tribromophenyl)thiophen-2-yl]butan-1-amine
SMILESCCCC(NC)c1ccc(-c2c(Br)cc(Br)cc2Br)s1
InChIInChI=1S/C15H16Br3NS/c1-3-4-12(19-2)13-5-6-14(20-13)15-10(17)7-9(16)8-11(15)18/h5-8,12,19H,3-4H2,1-2H3
InChIKeyWJULOMYBBDMPSZ-UHFFFAOYSA-N
MW482.08 g/mol
LogP6.76
Rot. Bonds5

About N-methyl-1-[5-(2,4,6-tribromophenyl)thiophen-2-yl]butan-1-amine

N-methyl-1-[5-(2,4,6-tribromophenyl)thiophen-2-yl]butan-1-amine (PubChem CID 43288060) has the molecular formula C15H16Br3NS and a molecular weight of 482.08 g/mol. Its IUPAC name is N-methyl-1-[5-(2,4,6-tribromophenyl)thiophen-2-yl]butan-1-amine.

Molecular Properties

Compound NameN-methyl-1-[5-(2,4,6-tribromophenyl)thiophen-2-yl]butan-1-amine
PubChem CID43288060
Molecular FormulaC15H16Br3NS
Molecular Weight482.08 g/mol
Exact Mass478.86
IUPAC NameN-methyl-1-[5-(2,4,6-tribromophenyl)thiophen-2-yl]butan-1-amine
SMILESCCCC(NC)c1ccc(-c2c(Br)cc(Br)cc2Br)s1
InChIInChI=1S/C15H16Br3NS/c1-3-4-12(19-2)13-5-6-14(20-13)15-10(17)7-9(16)8-11(15)18/h5-8,12,19H,3-4H2,1-2H3
InChIKeyWJULOMYBBDMPSZ-UHFFFAOYSA-N
XLogP6.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.08
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(2,6-dibromo-4-methylphenyl)thiophen-2-yl]-N-methylbutan-1-amine
CID 43288020
N-methyl-1-[5-(3-methylphenyl)thiophen-2-yl]butan-1-amine
CID 43287870
1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-methylbutan-1-amine
CID 43287930
2-methyl-1-[5-(2,4,6-tribromophenyl)thiophen-2-yl]propan-1-amine
CID 43331832
1-(5-bromothiophen-2-yl)-N-methyldodecan-1-amine
CID 65447449
1-[5-(2,6-dibromo-4-chlorophenyl)thiophen-2-yl]propan-1-amine
CID 114209207
1-[5-(4-bromo-2,3-dichlorophenyl)thiophen-2-yl]-N-methylpropan-1-amine
CID 107792497
1-cyclopropyl-1-[5-(2,6-dibromo-4-methylphenyl)thiophen-2-yl]-N-methylmethanamine
CID 43288016
1-(5-bromothiophen-2-yl)-N-ethylbutan-1-amine
CID 61101878
N-methyl-1-(5-methylthiophen-2-yl)pentan-1-amine
CID 43480384
N-ethyl-1-[5-(4-methylphenyl)thiophen-2-yl]butan-1-amine
CID 43287471
1-[5-(3,5-dimethylphenyl)thiophen-2-yl]-N-propylbutan-1-amine
CID 43287958

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(2,4,6-tribromophenyl)thiophen-2-yl]butan-1-amine?
The IUPAC name of N-methyl-1-[5-(2,4,6-tribromophenyl)thiophen-2-yl]butan-1-amine (CID 43288060) is N-methyl-1-[5-(2,4,6-tribromophenyl)thiophen-2-yl]butan-1-amine.
What is the SMILES notation for N-methyl-1-[5-(2,4,6-tribromophenyl)thiophen-2-yl]butan-1-amine?
The canonical SMILES for N-methyl-1-[5-(2,4,6-tribromophenyl)thiophen-2-yl]butan-1-amine is CCCC(NC)c1ccc(-c2c(Br)cc(Br)cc2Br)s1.
What is the InChIKey of N-methyl-1-[5-(2,4,6-tribromophenyl)thiophen-2-yl]butan-1-amine?
The InChIKey is WJULOMYBBDMPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Br3NS/c1-3-4-12(19-2)13-5-6-14(20-13)15-10(17)7-9(16)8-11(15)18/h5-8,12,19H,3-4H2,1-2H3.
What are the key properties of N-methyl-1-[5-(2,4,6-tribromophenyl)thiophen-2-yl]butan-1-amine?
N-methyl-1-[5-(2,4,6-tribromophenyl)thiophen-2-yl]butan-1-amine has a molecular weight of 482.08 g/mol, XLogP of 6.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(2,4,6-tribromophenyl)thiophen-2-yl]butan-1-amine is sourced from PubChem (CID 43288060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).