N-[1-(3-bromothiophen-2-yl)ethyl]-2-propan-2-yloxyaniline

C15H18BrNOS — CID 43789755

IUPACN-[1-(3-bromothiophen-2-yl)ethyl]-2-propan-2-yloxyaniline
SMILESCC(C)Oc1ccccc1NC(C)c1sccc1Br
InChIInChI=1S/C15H18BrNOS/c1-10(2)18-14-7-5-4-6-13(14)17-11(3)15-12(16)8-9-19-15/h4-11,17H,1-3H3
InChIKeyZGXFWYZMRYOLMZ-UHFFFAOYSA-N
MW340.29 g/mol
LogP5.47
Rot. Bonds5

About N-[1-(3-bromothiophen-2-yl)ethyl]-2-propan-2-yloxyaniline

N-[1-(3-bromothiophen-2-yl)ethyl]-2-propan-2-yloxyaniline (PubChem CID 43789755) has the molecular formula C15H18BrNOS and a molecular weight of 340.29 g/mol. Its IUPAC name is N-[1-(3-bromothiophen-2-yl)ethyl]-2-propan-2-yloxyaniline.

Molecular Properties

Compound NameN-[1-(3-bromothiophen-2-yl)ethyl]-2-propan-2-yloxyaniline
PubChem CID43789755
Molecular FormulaC15H18BrNOS
Molecular Weight340.29 g/mol
Exact Mass339.03
IUPAC NameN-[1-(3-bromothiophen-2-yl)ethyl]-2-propan-2-yloxyaniline
SMILESCC(C)Oc1ccccc1NC(C)c1sccc1Br
InChIInChI=1S/C15H18BrNOS/c1-10(2)18-14-7-5-4-6-13(14)17-11(3)15-12(16)8-9-19-15/h4-11,17H,1-3H3
InChIKeyZGXFWYZMRYOLMZ-UHFFFAOYSA-N
XLogP5.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.29
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromothiophen-2-yl)-N-methyl-1-(2-propan-2-yloxyphenyl)methanamine
CID 105018139
(1R)-N-[1-(3-bromothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)ethanamine
CID 81397385
N-[1-(3-bromothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)ethanamine
CID 43766775
2-(3-bromothiophen-2-yl)-2-(2-methoxyanilino)ethanol
CID 113298240
3-N-[1-(3-bromothiophen-2-yl)ethyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43784239
4-bromo-N-[1-(3-bromothiophen-2-yl)ethyl]-2,5-difluoroaniline
CID 107609332
4-bromo-N-[1-(3-bromothiophen-2-yl)ethyl]-2-methylaniline
CID 43758862
N-[1-(3-bromothiophen-2-yl)ethyl]-3-butan-2-yloxyaniline
CID 63477114
4-bromo-N-[1-(3-bromothiophen-2-yl)ethyl]-3-methylaniline
CID 43759920
(1S)-1-(2-bromophenyl)-N-[1-(3-bromothiophen-2-yl)ethyl]ethanamine
CID 81383637
4-bromo-N-[1-(3-bromothiophen-2-yl)ethyl]-2-(trifluoromethyl)aniline
CID 60792050
N-[1-(4-ethylphenyl)ethyl]-2-propan-2-yloxyaniline
CID 43739243

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromothiophen-2-yl)ethyl]-2-propan-2-yloxyaniline?
The IUPAC name of N-[1-(3-bromothiophen-2-yl)ethyl]-2-propan-2-yloxyaniline (CID 43789755) is N-[1-(3-bromothiophen-2-yl)ethyl]-2-propan-2-yloxyaniline.
What is the SMILES notation for N-[1-(3-bromothiophen-2-yl)ethyl]-2-propan-2-yloxyaniline?
The canonical SMILES for N-[1-(3-bromothiophen-2-yl)ethyl]-2-propan-2-yloxyaniline is CC(C)Oc1ccccc1NC(C)c1sccc1Br.
What is the InChIKey of N-[1-(3-bromothiophen-2-yl)ethyl]-2-propan-2-yloxyaniline?
The InChIKey is ZGXFWYZMRYOLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNOS/c1-10(2)18-14-7-5-4-6-13(14)17-11(3)15-12(16)8-9-19-15/h4-11,17H,1-3H3.
What are the key properties of N-[1-(3-bromothiophen-2-yl)ethyl]-2-propan-2-yloxyaniline?
N-[1-(3-bromothiophen-2-yl)ethyl]-2-propan-2-yloxyaniline has a molecular weight of 340.29 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromothiophen-2-yl)ethyl]-2-propan-2-yloxyaniline is sourced from PubChem (CID 43789755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).