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

C13H16BrNOS — CID 83176142

IUPACN-[1-(4-bromothiophen-2-yl)-2-(furan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccoc1)c1cc(Br)cs1
InChIInChI=1S/C13H16BrNOS/c1-2-4-15-12(6-10-3-5-16-8-10)13-7-11(14)9-17-13/h3,5,7-9,12,15H,2,4,6H2,1H3
InChIKeyJZJDIVBEEXONQR-UHFFFAOYSA-N
MW314.25 g/mol
LogP4.39
Rot. Bonds6

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

N-[1-(4-bromothiophen-2-yl)-2-(furan-3-yl)ethyl]propan-1-amine (PubChem CID 83176142) has the molecular formula C13H16BrNOS and a molecular weight of 314.25 g/mol. Its IUPAC name is N-[1-(4-bromothiophen-2-yl)-2-(furan-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-bromothiophen-2-yl)-2-(furan-3-yl)ethyl]propan-1-amine
PubChem CID83176142
Molecular FormulaC13H16BrNOS
Molecular Weight314.25 g/mol
Exact Mass313.01
IUPAC NameN-[1-(4-bromothiophen-2-yl)-2-(furan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccoc1)c1cc(Br)cs1
InChIInChI=1S/C13H16BrNOS/c1-2-4-15-12(6-10-3-5-16-8-10)13-7-11(14)9-17-13/h3,5,7-9,12,15H,2,4,6H2,1H3
InChIKeyJZJDIVBEEXONQR-UHFFFAOYSA-N
XLogP4.39
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.25
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,5-dibromophenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 105029882
N-[1-(3-bromo-5-fluorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 83175760
N-[1-(4-bromo-3-chlorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 105030232
N-[2-(5-bromo-2-pyridinyl)-1-(4-bromothiophen-2-yl)ethyl]propan-1-amine
CID 104802222
N-[1-(furan-2-yl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 83175419
N-[1-(2,5-dichlorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 105030186
N-[1-(4-bromothiophen-2-yl)-2-(2,3-dichlorophenyl)ethyl]propan-1-amine
CID 107308639
1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2-(furan-3-yl)ethanamine
CID 105029716
N-[2-(furan-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethyl]propan-1-amine
CID 105177705
2-(furan-3-yl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine
CID 105030240
N-[2-(furan-3-yl)-1-thieno[3,2-b]pyridin-6-ylethyl]propan-1-amine
CID 83183474
N-[2-(furan-3-yl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105177828

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromothiophen-2-yl)-2-(furan-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(4-bromothiophen-2-yl)-2-(furan-3-yl)ethyl]propan-1-amine (CID 83176142) is N-[1-(4-bromothiophen-2-yl)-2-(furan-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-bromothiophen-2-yl)-2-(furan-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-bromothiophen-2-yl)-2-(furan-3-yl)ethyl]propan-1-amine is CCCNC(Cc1ccoc1)c1cc(Br)cs1.
What is the InChIKey of N-[1-(4-bromothiophen-2-yl)-2-(furan-3-yl)ethyl]propan-1-amine?
The InChIKey is JZJDIVBEEXONQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNOS/c1-2-4-15-12(6-10-3-5-16-8-10)13-7-11(14)9-17-13/h3,5,7-9,12,15H,2,4,6H2,1H3.
What are the key properties of N-[1-(4-bromothiophen-2-yl)-2-(furan-3-yl)ethyl]propan-1-amine?
N-[1-(4-bromothiophen-2-yl)-2-(furan-3-yl)ethyl]propan-1-amine has a molecular weight of 314.25 g/mol, XLogP of 4.39, 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-2-yl)-2-(furan-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 83176142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).