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

C14H16Br2N2S — CID 105036190

IUPACN-[2-(5-bromo-2-pyridinyl)-1-(3-bromothiophen-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Br)cn1)c1sccc1Br
InChIInChI=1S/C14H16Br2N2S/c1-2-6-17-13(14-12(16)5-7-19-14)8-11-4-3-10(15)9-18-11/h3-5,7,9,13,17H,2,6,8H2,1H3
InChIKeyWDDQIYCDJIMSAB-UHFFFAOYSA-N
MW404.17 g/mol
LogP4.95
Rot. Bonds6

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

N-[2-(5-bromo-2-pyridinyl)-1-(3-bromothiophen-2-yl)ethyl]propan-1-amine (PubChem CID 105036190) has the molecular formula C14H16Br2N2S and a molecular weight of 404.17 g/mol. Its IUPAC name is N-[2-(5-bromo-2-pyridinyl)-1-(3-bromothiophen-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(5-bromo-2-pyridinyl)-1-(3-bromothiophen-2-yl)ethyl]propan-1-amine
PubChem CID105036190
Molecular FormulaC14H16Br2N2S
Molecular Weight404.17 g/mol
Exact Mass401.94
IUPAC NameN-[2-(5-bromo-2-pyridinyl)-1-(3-bromothiophen-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Br)cn1)c1sccc1Br
InChIInChI=1S/C14H16Br2N2S/c1-2-6-17-13(14-12(16)5-7-19-14)8-11-4-3-10(15)9-18-11/h3-5,7,9,13,17H,2,6,8H2,1H3
InChIKeyWDDQIYCDJIMSAB-UHFFFAOYSA-N
XLogP4.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.17
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-bromo-2-pyridinyl)-1-(4-bromothiophen-2-yl)ethyl]propan-1-amine
CID 104802222
N-[2-(5-bromo-2-pyridinyl)-1-(4-propylthiadiazol-5-yl)ethyl]propan-1-amine
CID 105180987
N-[2-(5-bromo-2-pyridinyl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine
CID 107946720
N-[1-(3-bromothiophen-2-yl)-2-(4-bromothiophen-2-yl)ethyl]propan-1-amine
CID 115847708
N-[2-(5-ethyl-2-pyridinyl)-1-(3-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 105014658
N-[2-(5-bromo-2-pyridinyl)-1-(3,4-dimethylphenyl)ethyl]propan-1-amine
CID 105036368
N-[1-(4-bromo-3-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethyl]propan-1-amine
CID 105036522
N-[1-(3-bromo-2-fluorophenyl)-2-(5-bromo-2-pyridinyl)ethyl]propan-1-amine
CID 107953636
N-[1-(3-chlorothiophen-2-yl)-2-(5-ethyl-2-pyridinyl)ethyl]propan-1-amine
CID 105014714
N-[1-(2-bromo-4-fluorophenyl)-2-(5-bromo-2-pyridinyl)ethyl]propan-1-amine
CID 105036047
N-[1-(3-bromothiophen-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 63798477
N-[2-(5-bromo-2-pyridinyl)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 104800981

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromo-2-pyridinyl)-1-(3-bromothiophen-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(5-bromo-2-pyridinyl)-1-(3-bromothiophen-2-yl)ethyl]propan-1-amine (CID 105036190) is N-[2-(5-bromo-2-pyridinyl)-1-(3-bromothiophen-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(5-bromo-2-pyridinyl)-1-(3-bromothiophen-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(5-bromo-2-pyridinyl)-1-(3-bromothiophen-2-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc(Br)cn1)c1sccc1Br.
What is the InChIKey of N-[2-(5-bromo-2-pyridinyl)-1-(3-bromothiophen-2-yl)ethyl]propan-1-amine?
The InChIKey is WDDQIYCDJIMSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Br2N2S/c1-2-6-17-13(14-12(16)5-7-19-14)8-11-4-3-10(15)9-18-11/h3-5,7,9,13,17H,2,6,8H2,1H3.
What are the key properties of N-[2-(5-bromo-2-pyridinyl)-1-(3-bromothiophen-2-yl)ethyl]propan-1-amine?
N-[2-(5-bromo-2-pyridinyl)-1-(3-bromothiophen-2-yl)ethyl]propan-1-amine has a molecular weight of 404.17 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromo-2-pyridinyl)-1-(3-bromothiophen-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105036190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).