N-[2-(4-bromothiophen-2-yl)-1-(3,5-dichloro-2-pyridinyl)ethyl]propan-1-amine

C14H15BrCl2N2S — CID 79779913

IUPACN-[2-(4-bromothiophen-2-yl)-1-(3,5-dichloro-2-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(Br)cs1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C14H15BrCl2N2S/c1-2-3-18-13(6-11-4-9(15)8-20-11)14-12(17)5-10(16)7-19-14/h4-5,7-8,13,18H,2-3,6H2,1H3
InChIKeyQEEYVJFUDVBWLW-UHFFFAOYSA-N
MW394.17 g/mol
LogP5.50
Rot. Bonds6

About N-[2-(4-bromothiophen-2-yl)-1-(3,5-dichloro-2-pyridinyl)ethyl]propan-1-amine

N-[2-(4-bromothiophen-2-yl)-1-(3,5-dichloro-2-pyridinyl)ethyl]propan-1-amine (PubChem CID 79779913) has the molecular formula C14H15BrCl2N2S and a molecular weight of 394.17 g/mol. Its IUPAC name is N-[2-(4-bromothiophen-2-yl)-1-(3,5-dichloro-2-pyridinyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-bromothiophen-2-yl)-1-(3,5-dichloro-2-pyridinyl)ethyl]propan-1-amine
PubChem CID79779913
Molecular FormulaC14H15BrCl2N2S
Molecular Weight394.17 g/mol
Exact Mass391.95
IUPAC NameN-[2-(4-bromothiophen-2-yl)-1-(3,5-dichloro-2-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(Br)cs1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C14H15BrCl2N2S/c1-2-3-18-13(6-11-4-9(15)8-20-11)14-12(17)5-10(16)7-19-14/h4-5,7-8,13,18H,2-3,6H2,1H3
InChIKeyQEEYVJFUDVBWLW-UHFFFAOYSA-N
XLogP5.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.17
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-bromothiophen-2-yl)-1-(2-chlorofuran-3-yl)ethyl]propan-1-amine
CID 106691868
N-[2-(4-bromothiophen-2-yl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105139385
N-[1-(3,5-dichloro-2-pyridinyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 79783884
N-[2-(4-bromothiophen-2-yl)-1-(5-chloro-2-methylphenyl)ethyl]propan-1-amine
CID 115847603
N-[1-(3,5-dichloro-2-pyridinyl)-2-methoxyethyl]propan-1-amine
CID 79780092
1-(3,5-dichloro-2-pyridinyl)-5-methyl-N-propylhexan-1-amine
CID 83161489
N-[2-(4-bromothiophen-2-yl)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105139141
N-[2-(4-bromothiophen-2-yl)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 62606210
N-[1-(3-bromothiophen-2-yl)-2-(4-bromothiophen-2-yl)ethyl]propan-1-amine
CID 115847708
1-(3,5-dichloro-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 115517384
N-[2-(4-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)ethyl]propan-1-amine
CID 105139349
1-(4-bromothiophen-2-yl)-N-propylbutan-2-amine
CID 62601735

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromothiophen-2-yl)-1-(3,5-dichloro-2-pyridinyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(4-bromothiophen-2-yl)-1-(3,5-dichloro-2-pyridinyl)ethyl]propan-1-amine (CID 79779913) is N-[2-(4-bromothiophen-2-yl)-1-(3,5-dichloro-2-pyridinyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-bromothiophen-2-yl)-1-(3,5-dichloro-2-pyridinyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-bromothiophen-2-yl)-1-(3,5-dichloro-2-pyridinyl)ethyl]propan-1-amine is CCCNC(Cc1cc(Br)cs1)c1ncc(Cl)cc1Cl.
What is the InChIKey of N-[2-(4-bromothiophen-2-yl)-1-(3,5-dichloro-2-pyridinyl)ethyl]propan-1-amine?
The InChIKey is QEEYVJFUDVBWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrCl2N2S/c1-2-3-18-13(6-11-4-9(15)8-20-11)14-12(17)5-10(16)7-19-14/h4-5,7-8,13,18H,2-3,6H2,1H3.
What are the key properties of N-[2-(4-bromothiophen-2-yl)-1-(3,5-dichloro-2-pyridinyl)ethyl]propan-1-amine?
N-[2-(4-bromothiophen-2-yl)-1-(3,5-dichloro-2-pyridinyl)ethyl]propan-1-amine has a molecular weight of 394.17 g/mol, XLogP of 5.50, 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-(3,5-dichloro-2-pyridinyl)ethyl]propan-1-amine is sourced from PubChem (CID 79779913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).