1-(4-bromothiophen-2-yl)-4-(4-methoxyphenyl)butan-2-amine

C15H18BrNOS — CID 115847825

IUPAC1-(4-bromothiophen-2-yl)-4-(4-methoxyphenyl)butan-2-amine
SMILESCOc1ccc(CCC(N)Cc2cc(Br)cs2)cc1
InChIInChI=1S/C15H18BrNOS/c1-18-14-6-3-11(4-7-14)2-5-13(17)9-15-8-12(16)10-19-15/h3-4,6-8,10,13H,2,5,9,17H2,1H3
InChIKeyCUJRBLXUIDTSIU-UHFFFAOYSA-N
MW340.29 g/mol
LogP4.02
Rot. Bonds6

About 1-(4-bromothiophen-2-yl)-4-(4-methoxyphenyl)butan-2-amine

1-(4-bromothiophen-2-yl)-4-(4-methoxyphenyl)butan-2-amine (PubChem CID 115847825) has the molecular formula C15H18BrNOS and a molecular weight of 340.29 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-4-(4-methoxyphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-4-(4-methoxyphenyl)butan-2-amine
PubChem CID115847825
Molecular FormulaC15H18BrNOS
Molecular Weight340.29 g/mol
Exact Mass339.03
IUPAC Name1-(4-bromothiophen-2-yl)-4-(4-methoxyphenyl)butan-2-amine
SMILESCOc1ccc(CCC(N)Cc2cc(Br)cs2)cc1
InChIInChI=1S/C15H18BrNOS/c1-18-14-6-3-11(4-7-14)2-5-13(17)9-15-8-12(16)10-19-15/h3-4,6-8,10,13H,2,5,9,17H2,1H3
InChIKeyCUJRBLXUIDTSIU-UHFFFAOYSA-N
XLogP4.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromothiophen-2-yl)-3-(3-methoxyphenyl)propan-2-amine
CID 62602168
1-(3-bromo-4-fluorophenyl)-4-(4-methoxyphenyl)butan-2-amine
CID 115818682
1-(4-ethylphenyl)-4-(4-methoxyphenyl)butan-2-amine
CID 115803356
1-bromo-4-[2-bromo-4-(4-methoxyphenyl)butyl]benzene
CID 63542238
1-(4-chloro-3-fluorophenyl)-4-(4-methoxyphenyl)butan-2-amine
CID 107892055
N-[(4-bromothiophen-2-yl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 47042136
2-[2-(4-methoxyphenyl)ethyl]-4-methylthiophene
CID 70158894
1-(4-methoxyphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine
CID 103030537
5-methoxy-1-(4-methoxyphenyl)hexan-3-amine
CID 113391349
N-[1-(2-bromo-5-methoxyphenyl)-2-(4-bromothiophen-2-yl)ethyl]propan-1-amine
CID 105139266
N-[2-(4-bromothiophen-2-yl)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 62606210
2-[(4-bromothiophen-2-yl)methyl]-3-(3-methoxyphenyl)propan-1-amine
CID 55083986

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-4-(4-methoxyphenyl)butan-2-amine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-4-(4-methoxyphenyl)butan-2-amine (CID 115847825) is 1-(4-bromothiophen-2-yl)-4-(4-methoxyphenyl)butan-2-amine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-4-(4-methoxyphenyl)butan-2-amine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-4-(4-methoxyphenyl)butan-2-amine is COc1ccc(CCC(N)Cc2cc(Br)cs2)cc1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-4-(4-methoxyphenyl)butan-2-amine?
The InChIKey is CUJRBLXUIDTSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNOS/c1-18-14-6-3-11(4-7-14)2-5-13(17)9-15-8-12(16)10-19-15/h3-4,6-8,10,13H,2,5,9,17H2,1H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-4-(4-methoxyphenyl)butan-2-amine?
1-(4-bromothiophen-2-yl)-4-(4-methoxyphenyl)butan-2-amine has a molecular weight of 340.29 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-4-(4-methoxyphenyl)butan-2-amine is sourced from PubChem (CID 115847825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).