N-[1-(4-bromothiophen-3-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine

C13H22BrNOS — CID 105166827

IUPACN-[1-(4-bromothiophen-3-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine
SMILESCCCNC(COC(C)(C)C)c1cscc1Br
InChIInChI=1S/C13H22BrNOS/c1-5-6-15-12(7-16-13(2,3)4)10-8-17-9-11(10)14/h8-9,12,15H,5-7H2,1-4H3
InChIKeyQAOXWVADZLYOOK-UHFFFAOYSA-N
MW320.30 g/mol
LogP4.37
Rot. Bonds6

About N-[1-(4-bromothiophen-3-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine

N-[1-(4-bromothiophen-3-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine (PubChem CID 105166827) has the molecular formula C13H22BrNOS and a molecular weight of 320.30 g/mol. Its IUPAC name is N-[1-(4-bromothiophen-3-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-bromothiophen-3-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine
PubChem CID105166827
Molecular FormulaC13H22BrNOS
Molecular Weight320.30 g/mol
Exact Mass319.06
IUPAC NameN-[1-(4-bromothiophen-3-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine
SMILESCCCNC(COC(C)(C)C)c1cscc1Br
InChIInChI=1S/C13H22BrNOS/c1-5-6-15-12(7-16-13(2,3)4)10-8-17-9-11(10)14/h8-9,12,15H,5-7H2,1-4H3
InChIKeyQAOXWVADZLYOOK-UHFFFAOYSA-N
XLogP4.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromothiophen-3-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 105113091
1-(4-bromothiophen-3-yl)-2-ethoxy-3,3-dimethyl-N-propylbutan-1-amine
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1-(4-bromothiophen-3-yl)-N',N'-diethyl-N-propylpropane-1,3-diamine
CID 79602867
N-[1-(4-bromothiophen-3-yl)-2-(3,4-dimethylphenyl)ethyl]propan-1-amine
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1-(4-bromothiophen-3-yl)-4-phenyl-N-propylbutan-1-amine
CID 105166680
N-[2-[(2-methylpropan-2-yl)oxy]-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine
CID 63475624
N-[1-(2-methoxy-3,4-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine
CID 103435172
N-[1-(3,5-difluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine
CID 105142084
1-(4-bromothiophen-3-yl)-2-methyl-N-propyl-2-pyrrolidin-1-ylpropan-1-amine
CID 79602355
1-(4-bromothiophen-3-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475795
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromothiophen-3-yl)ethyl]propan-1-amine
CID 105010796
N-[(4-bromothiophen-3-yl)-phenylmethyl]propan-1-amine
CID 79595968

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromothiophen-3-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine?
The IUPAC name of N-[1-(4-bromothiophen-3-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine (CID 105166827) is N-[1-(4-bromothiophen-3-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-bromothiophen-3-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-bromothiophen-3-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine is CCCNC(COC(C)(C)C)c1cscc1Br.
What is the InChIKey of N-[1-(4-bromothiophen-3-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine?
The InChIKey is QAOXWVADZLYOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrNOS/c1-5-6-15-12(7-16-13(2,3)4)10-8-17-9-11(10)14/h8-9,12,15H,5-7H2,1-4H3.
What are the key properties of N-[1-(4-bromothiophen-3-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine?
N-[1-(4-bromothiophen-3-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine has a molecular weight of 320.30 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromothiophen-3-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine is sourced from PubChem (CID 105166827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).