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

C15H19BrN2OS — CID 105065400

IUPACN-[2-(5-bromothiophen-2-yl)-1-(3-methoxy-4-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Br)s1)c1ccncc1OC
InChIInChI=1S/C15H19BrN2OS/c1-3-7-18-13(9-11-4-5-15(16)20-11)12-6-8-17-10-14(12)19-2/h4-6,8,10,13,18H,3,7,9H2,1-2H3
InChIKeyDVQVDEPXDDYFBN-UHFFFAOYSA-N
MW355.30 g/mol
LogP4.20
Rot. Bonds7

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

N-[2-(5-bromothiophen-2-yl)-1-(3-methoxy-4-pyridinyl)ethyl]propan-1-amine (PubChem CID 105065400) has the molecular formula C15H19BrN2OS and a molecular weight of 355.30 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)-1-(3-methoxy-4-pyridinyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)-1-(3-methoxy-4-pyridinyl)ethyl]propan-1-amine
PubChem CID105065400
Molecular FormulaC15H19BrN2OS
Molecular Weight355.30 g/mol
Exact Mass354.04
IUPAC NameN-[2-(5-bromothiophen-2-yl)-1-(3-methoxy-4-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Br)s1)c1ccncc1OC
InChIInChI=1S/C15H19BrN2OS/c1-3-7-18-13(9-11-4-5-15(16)20-11)12-6-8-17-10-14(12)19-2/h4-6,8,10,13,18H,3,7,9H2,1-2H3
InChIKeyDVQVDEPXDDYFBN-UHFFFAOYSA-N
XLogP4.20
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.30
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-bromothiophen-2-yl)-1-pyrimidin-4-ylethyl]propan-1-amine
CID 63989185
N-[2-(5-bromothiophen-2-yl)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 62605837
N-[2-(5-bromothiophen-2-yl)-1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 62605864
N-[2-(5-bromothiophen-2-yl)-1-(2-fluoro-4-methoxyphenyl)ethyl]propan-1-amine
CID 81302393
N-[2-(1-ethylimidazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethyl]propan-1-amine
CID 105065826
N-[2-(5-bromothiophen-2-yl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine
CID 107945453
N-[2-(5-bromothiophen-2-yl)-1-(2,3-dimethylphenyl)ethyl]propan-1-amine
CID 115840802
5,5,5-trifluoro-1-(3-methoxy-4-pyridinyl)-N-propylpentan-1-amine
CID 105065946
N-[2-(5-bromothiophen-2-yl)-1-(4-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 115841074
N-[1-(2-bromo-4-fluorophenyl)-2-(5-bromothiophen-2-yl)ethyl]propan-1-amine
CID 115840822
N-[1-(3-chloro-4-pyridinyl)-2-(2-methoxyphenyl)ethyl]propan-1-amine
CID 105107654
N-[2-(5-bromothiophen-2-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethyl]propan-1-amine
CID 103126679

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)-1-(3-methoxy-4-pyridinyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)-1-(3-methoxy-4-pyridinyl)ethyl]propan-1-amine (CID 105065400) is N-[2-(5-bromothiophen-2-yl)-1-(3-methoxy-4-pyridinyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)-1-(3-methoxy-4-pyridinyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)-1-(3-methoxy-4-pyridinyl)ethyl]propan-1-amine is CCCNC(Cc1ccc(Br)s1)c1ccncc1OC.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)-1-(3-methoxy-4-pyridinyl)ethyl]propan-1-amine?
The InChIKey is DVQVDEPXDDYFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2OS/c1-3-7-18-13(9-11-4-5-15(16)20-11)12-6-8-17-10-14(12)19-2/h4-6,8,10,13,18H,3,7,9H2,1-2H3.
What are the key properties of N-[2-(5-bromothiophen-2-yl)-1-(3-methoxy-4-pyridinyl)ethyl]propan-1-amine?
N-[2-(5-bromothiophen-2-yl)-1-(3-methoxy-4-pyridinyl)ethyl]propan-1-amine has a molecular weight of 355.30 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)-1-(3-methoxy-4-pyridinyl)ethyl]propan-1-amine is sourced from PubChem (CID 105065400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).