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

C15H19BrN2S — CID 66447120

IUPACN-[1-(5-bromothiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(C)cn1)c1ccc(Br)s1
InChIInChI=1S/C15H19BrN2S/c1-3-8-17-13(14-6-7-15(16)19-14)9-12-5-4-11(2)10-18-12/h4-7,10,13,17H,3,8-9H2,1-2H3
InChIKeyAHNCIVIAERMDTK-UHFFFAOYSA-N
MW339.30 g/mol
LogP4.50
Rot. Bonds6

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

N-[1-(5-bromothiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine (PubChem CID 66447120) has the molecular formula C15H19BrN2S and a molecular weight of 339.30 g/mol. Its IUPAC name is N-[1-(5-bromothiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(5-bromothiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
PubChem CID66447120
Molecular FormulaC15H19BrN2S
Molecular Weight339.30 g/mol
Exact Mass338.05
IUPAC NameN-[1-(5-bromothiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(C)cn1)c1ccc(Br)s1
InChIInChI=1S/C15H19BrN2S/c1-3-8-17-13(14-6-7-15(16)19-14)9-12-5-4-11(2)10-18-12/h4-7,10,13,17H,3,8-9H2,1-2H3
InChIKeyAHNCIVIAERMDTK-UHFFFAOYSA-N
XLogP4.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-methyl-2-pyridinyl)-1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 66459653
N-[1-(3-bromo-4-methylphenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 81459587
N-[1-(5-bromothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107049296
N-[1-(4-methoxythiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 81123059
N-[1-(4-iodophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 66448862
N-[1-(2-bromo-4-fluorophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 66446354
N-[1-(3-bromo-4-chlorophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 107989126
N-[1-(furan-2-yl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 66459042
1-(5-bromothiophen-2-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
CID 79748456
N-[2-(5-bromo-2-pyridinyl)-1-(4-bromothiophen-2-yl)ethyl]propan-1-amine
CID 104802222
N-[1-(2,3-dimethylphenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 66459041
N-[1-(5-chloro-2-fluorophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 66461658

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromothiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(5-bromothiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine (CID 66447120) is N-[1-(5-bromothiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(5-bromothiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(5-bromothiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine is CCCNC(Cc1ccc(C)cn1)c1ccc(Br)s1.
What is the InChIKey of N-[1-(5-bromothiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine?
The InChIKey is AHNCIVIAERMDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2S/c1-3-8-17-13(14-6-7-15(16)19-14)9-12-5-4-11(2)10-18-12/h4-7,10,13,17H,3,8-9H2,1-2H3.
What are the key properties of N-[1-(5-bromothiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine?
N-[1-(5-bromothiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine has a molecular weight of 339.30 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromothiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine is sourced from PubChem (CID 66447120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).