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

C13H15BrClNOS — CID 106691868

IUPACN-[2-(4-bromothiophen-2-yl)-1-(2-chlorofuran-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(Br)cs1)c1ccoc1Cl
InChIInChI=1S/C13H15BrClNOS/c1-2-4-16-12(11-3-5-17-13(11)15)7-10-6-9(14)8-18-10/h3,5-6,8,12,16H,2,4,7H2,1H3
InChIKeyRHWNDYMFDGEGMM-UHFFFAOYSA-N
MW348.69 g/mol
LogP5.04
Rot. Bonds6

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

N-[2-(4-bromothiophen-2-yl)-1-(2-chlorofuran-3-yl)ethyl]propan-1-amine (PubChem CID 106691868) has the molecular formula C13H15BrClNOS and a molecular weight of 348.69 g/mol. Its IUPAC name is N-[2-(4-bromothiophen-2-yl)-1-(2-chlorofuran-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-bromothiophen-2-yl)-1-(2-chlorofuran-3-yl)ethyl]propan-1-amine
PubChem CID106691868
Molecular FormulaC13H15BrClNOS
Molecular Weight348.69 g/mol
Exact Mass346.97
IUPAC NameN-[2-(4-bromothiophen-2-yl)-1-(2-chlorofuran-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(Br)cs1)c1ccoc1Cl
InChIInChI=1S/C13H15BrClNOS/c1-2-4-16-12(11-3-5-17-13(11)15)7-10-6-9(14)8-18-10/h3,5-6,8,12,16H,2,4,7H2,1H3
InChIKeyRHWNDYMFDGEGMM-UHFFFAOYSA-N
XLogP5.04
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.69
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-bromothiophen-2-yl)-1-(5-chloro-2-methylphenyl)ethyl]propan-1-amine
CID 115847603
N-[2-(4-bromothiophen-2-yl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 113455397
N-[1-(2-bromo-3-methylphenyl)-2-(4-bromothiophen-2-yl)ethyl]propan-1-amine
CID 107984903
N-[2-(4-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)ethyl]propan-1-amine
CID 105139349
N-[2-(4-bromothiophen-2-yl)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105139141
N-[1-(2-chlorofuran-3-yl)-2-(2,6-dichlorophenyl)ethyl]propan-1-amine
CID 106691671
N-[1-(2-chlorofuran-3-yl)-2-(3-chlorophenyl)ethyl]propan-1-amine
CID 106687887
N-[1-(2-chlorofuran-3-yl)-2-(3,4-difluorophenyl)ethyl]propan-1-amine
CID 106687928
N-[1-(2-bromo-5-methoxyphenyl)-2-(4-bromothiophen-2-yl)ethyl]propan-1-amine
CID 105139266
N-[2-(4-bromothiophen-2-yl)-1-(3,5-dichloro-2-pyridinyl)ethyl]propan-1-amine
CID 79779913
N-[1-(3-bromothiophen-2-yl)-2-(4-bromothiophen-2-yl)ethyl]propan-1-amine
CID 115847708
1-(2-chlorofuran-3-yl)-N-propylpentan-1-amine
CID 106691699

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromothiophen-2-yl)-1-(2-chlorofuran-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(4-bromothiophen-2-yl)-1-(2-chlorofuran-3-yl)ethyl]propan-1-amine (CID 106691868) is N-[2-(4-bromothiophen-2-yl)-1-(2-chlorofuran-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-bromothiophen-2-yl)-1-(2-chlorofuran-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-bromothiophen-2-yl)-1-(2-chlorofuran-3-yl)ethyl]propan-1-amine is CCCNC(Cc1cc(Br)cs1)c1ccoc1Cl.
What is the InChIKey of N-[2-(4-bromothiophen-2-yl)-1-(2-chlorofuran-3-yl)ethyl]propan-1-amine?
The InChIKey is RHWNDYMFDGEGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClNOS/c1-2-4-16-12(11-3-5-17-13(11)15)7-10-6-9(14)8-18-10/h3,5-6,8,12,16H,2,4,7H2,1H3.
What are the key properties of N-[2-(4-bromothiophen-2-yl)-1-(2-chlorofuran-3-yl)ethyl]propan-1-amine?
N-[2-(4-bromothiophen-2-yl)-1-(2-chlorofuran-3-yl)ethyl]propan-1-amine has a molecular weight of 348.69 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromothiophen-2-yl)-1-(2-chlorofuran-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 106691868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).