1-(4-bromothiophen-2-yl)-3-(2-methoxyphenyl)-N-methylpropan-2-amine

C15H18BrNOS — CID 62601023

IUPAC1-(4-bromothiophen-2-yl)-3-(2-methoxyphenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1cc(Br)cs1)Cc1ccccc1OC
InChIInChI=1S/C15H18BrNOS/c1-17-13(9-14-8-12(16)10-19-14)7-11-5-3-4-6-15(11)18-2/h3-6,8,10,13,17H,7,9H2,1-2H3
InChIKeyMJOQMJZZLNGPDL-UHFFFAOYSA-N
MW340.29 g/mol
LogP3.89
Rot. Bonds6

About 1-(4-bromothiophen-2-yl)-3-(2-methoxyphenyl)-N-methylpropan-2-amine

1-(4-bromothiophen-2-yl)-3-(2-methoxyphenyl)-N-methylpropan-2-amine (PubChem CID 62601023) has the molecular formula C15H18BrNOS and a molecular weight of 340.29 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-3-(2-methoxyphenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-3-(2-methoxyphenyl)-N-methylpropan-2-amine
PubChem CID62601023
Molecular FormulaC15H18BrNOS
Molecular Weight340.29 g/mol
Exact Mass339.03
IUPAC Name1-(4-bromothiophen-2-yl)-3-(2-methoxyphenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1cc(Br)cs1)Cc1ccccc1OC
InChIInChI=1S/C15H18BrNOS/c1-17-13(9-14-8-12(16)10-19-14)7-11-5-3-4-6-15(11)18-2/h3-6,8,10,13,17H,7,9H2,1-2H3
InChIKeyMJOQMJZZLNGPDL-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 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 ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-bromothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
CID 107354281
[2-(4-bromothiophen-2-yl)-1-(2-methoxyphenyl)ethyl]hydrazine
CID 105191242
1-(3-bromothiophen-2-yl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 55239918
1-(4-bromothiophen-2-yl)-3-(2-methoxyphenyl)propan-2-one
CID 62620804
1-(2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 62692992
1-(2-methoxyphenyl)-N,4-dimethylpentan-2-amine
CID 61066103
N-[(4-bromothiophen-2-yl)methyl]-2-(2-methoxyphenyl)acetamide
CID 47250123
2-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)ethanol
CID 115790186
1-(2-methoxyphenyl)-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 61262537
2-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)ethanamine
CID 115847619
1-(4-bromothiophen-2-yl)-4-methoxy-N,4-dimethylpentan-2-amine
CID 103025148
1-(2-methoxyphenyl)-N,5,5-trimethylhexan-2-amine
CID 62601026

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-3-(2-methoxyphenyl)-N-methylpropan-2-amine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-3-(2-methoxyphenyl)-N-methylpropan-2-amine (CID 62601023) is 1-(4-bromothiophen-2-yl)-3-(2-methoxyphenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-3-(2-methoxyphenyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-3-(2-methoxyphenyl)-N-methylpropan-2-amine is CNC(Cc1cc(Br)cs1)Cc1ccccc1OC.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-3-(2-methoxyphenyl)-N-methylpropan-2-amine?
The InChIKey is MJOQMJZZLNGPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNOS/c1-17-13(9-14-8-12(16)10-19-14)7-11-5-3-4-6-15(11)18-2/h3-6,8,10,13,17H,7,9H2,1-2H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-3-(2-methoxyphenyl)-N-methylpropan-2-amine?
1-(4-bromothiophen-2-yl)-3-(2-methoxyphenyl)-N-methylpropan-2-amine has a molecular weight of 340.29 g/mol, XLogP of 3.89, 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)-3-(2-methoxyphenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 62601023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).