N-[2-(5-bromothiophen-2-yl)-1-(oxolan-3-yl)ethyl]propan-1-amine

C13H20BrNOS — CID 65330697

IUPACN-[2-(5-bromothiophen-2-yl)-1-(oxolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Br)s1)C1CCOC1
InChIInChI=1S/C13H20BrNOS/c1-2-6-15-12(10-5-7-16-9-10)8-11-3-4-13(14)17-11/h3-4,10,12,15H,2,5-9H2,1H3
InChIKeyORVAIBDVQBKLFH-UHFFFAOYSA-N
MW318.28 g/mol
LogP3.46
Rot. Bonds6

About N-[2-(5-bromothiophen-2-yl)-1-(oxolan-3-yl)ethyl]propan-1-amine

N-[2-(5-bromothiophen-2-yl)-1-(oxolan-3-yl)ethyl]propan-1-amine (PubChem CID 65330697) has the molecular formula C13H20BrNOS and a molecular weight of 318.28 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)-1-(oxolan-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)-1-(oxolan-3-yl)ethyl]propan-1-amine
PubChem CID65330697
Molecular FormulaC13H20BrNOS
Molecular Weight318.28 g/mol
Exact Mass317.04
IUPAC NameN-[2-(5-bromothiophen-2-yl)-1-(oxolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Br)s1)C1CCOC1
InChIInChI=1S/C13H20BrNOS/c1-2-6-15-12(10-5-7-16-9-10)8-11-3-4-13(14)17-11/h3-4,10,12,15H,2,5-9H2,1H3
InChIKeyORVAIBDVQBKLFH-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-bromothiophen-2-yl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine
CID 65352843
N-[1-(7-bicyclo[4.1.0]heptanyl)-2-(5-bromothiophen-2-yl)ethyl]propan-1-amine
CID 115840919
N-[2-(4-ethylphenyl)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 65330199
N-[2-(furan-3-yl)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 83175448
N-[2-(2-bromophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 63936289
N-[1-cyclopropyl-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 62600030
3-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyridin-4-amine
CID 65329161
N-[2-(5-bromothiophen-2-yl)-1-(2,3-dihydro-1H-inden-1-yl)ethyl]propan-1-amine
CID 65403400
[2-(5-ethylthiophen-2-yl)-1-(oxolan-3-yl)ethyl]hydrazine
CID 105229403
1-(5-bromothiophen-2-yl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine
CID 103546567
N-[1-cyclohexyl-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 63413397
N-[2-(5-bromo-2-methoxyphenyl)-1-(oxan-3-yl)ethyl]propan-1-amine
CID 65333922

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)-1-(oxolan-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)-1-(oxolan-3-yl)ethyl]propan-1-amine (CID 65330697) is N-[2-(5-bromothiophen-2-yl)-1-(oxolan-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)-1-(oxolan-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)-1-(oxolan-3-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc(Br)s1)C1CCOC1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)-1-(oxolan-3-yl)ethyl]propan-1-amine?
The InChIKey is ORVAIBDVQBKLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNOS/c1-2-6-15-12(10-5-7-16-9-10)8-11-3-4-13(14)17-11/h3-4,10,12,15H,2,5-9H2,1H3.
What are the key properties of N-[2-(5-bromothiophen-2-yl)-1-(oxolan-3-yl)ethyl]propan-1-amine?
N-[2-(5-bromothiophen-2-yl)-1-(oxolan-3-yl)ethyl]propan-1-amine has a molecular weight of 318.28 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)-1-(oxolan-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 65330697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).