N-[2-(5-bromo-2-pyridinyl)-1-pyridin-3-ylethyl]propan-1-amine

C15H18BrN3 — CID 104801238

IUPACN-[2-(5-bromo-2-pyridinyl)-1-pyridin-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Br)cn1)c1cccnc1
InChIInChI=1S/C15H18BrN3/c1-2-7-18-15(12-4-3-8-17-10-12)9-14-6-5-13(16)11-19-14/h3-6,8,10-11,15,18H,2,7,9H2,1H3
InChIKeyUDMLXWXVMOLMQJ-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.52
Rot. Bonds6

About N-[2-(5-bromo-2-pyridinyl)-1-pyridin-3-ylethyl]propan-1-amine

N-[2-(5-bromo-2-pyridinyl)-1-pyridin-3-ylethyl]propan-1-amine (PubChem CID 104801238) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is N-[2-(5-bromo-2-pyridinyl)-1-pyridin-3-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(5-bromo-2-pyridinyl)-1-pyridin-3-ylethyl]propan-1-amine
PubChem CID104801238
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC NameN-[2-(5-bromo-2-pyridinyl)-1-pyridin-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Br)cn1)c1cccnc1
InChIInChI=1S/C15H18BrN3/c1-2-7-18-15(12-4-3-8-17-10-12)9-14-6-5-13(16)11-19-14/h3-6,8,10-11,15,18H,2,7,9H2,1H3
InChIKeyUDMLXWXVMOLMQJ-UHFFFAOYSA-N
XLogP3.52
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-[2-(5-bromo-2-pyridinyl)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 104800981
N-ethyl-2-(5-methyl-2-pyridinyl)-1-pyridin-3-ylethanamine
CID 66447908
N-[2-(5-bromo-2-pyridinyl)-1-(2-fluorophenyl)ethyl]propan-1-amine
CID 104801976
N-[2-(5-bromo-2-pyridinyl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine
CID 107946720
N-[2-(5-bromo-2-pyridinyl)-1-(4-bromothiophen-2-yl)ethyl]propan-1-amine
CID 104802222
3-(5-bromo-2-pyridinyl)-2-methyl-1-phenyl-N-propylpropan-1-amine
CID 104845549
N-[(4-bromophenyl)-pyridin-3-ylmethyl]propan-1-amine
CID 43494512
N-[1-(3-bromo-2-fluorophenyl)-2-(5-bromo-2-pyridinyl)ethyl]propan-1-amine
CID 107953636
N-[1-(2-bromo-3-fluorophenyl)-2-(5-bromo-2-pyridinyl)ethyl]propan-1-amine
CID 105036208
N-[2-(5-bromo-2-pyridinyl)-1-(3-bromothiophen-2-yl)ethyl]propan-1-amine
CID 105036190

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromo-2-pyridinyl)-1-pyridin-3-ylethyl]propan-1-amine?
The IUPAC name of N-[2-(5-bromo-2-pyridinyl)-1-pyridin-3-ylethyl]propan-1-amine (CID 104801238) is N-[2-(5-bromo-2-pyridinyl)-1-pyridin-3-ylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(5-bromo-2-pyridinyl)-1-pyridin-3-ylethyl]propan-1-amine?
The canonical SMILES for N-[2-(5-bromo-2-pyridinyl)-1-pyridin-3-ylethyl]propan-1-amine is CCCNC(Cc1ccc(Br)cn1)c1cccnc1.
What is the InChIKey of N-[2-(5-bromo-2-pyridinyl)-1-pyridin-3-ylethyl]propan-1-amine?
The InChIKey is UDMLXWXVMOLMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-2-7-18-15(12-4-3-8-17-10-12)9-14-6-5-13(16)11-19-14/h3-6,8,10-11,15,18H,2,7,9H2,1H3.
What are the key properties of N-[2-(5-bromo-2-pyridinyl)-1-pyridin-3-ylethyl]propan-1-amine?
N-[2-(5-bromo-2-pyridinyl)-1-pyridin-3-ylethyl]propan-1-amine has a molecular weight of 320.23 g/mol, XLogP of 3.52, 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-pyridin-3-ylethyl]propan-1-amine is sourced from PubChem (CID 104801238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).