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

C15H19BrN2O — CID 104804098

IUPACN-[2-(5-bromo-2-pyridinyl)-1-(2-methylfuran-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Br)cn1)c1ccoc1C
InChIInChI=1S/C15H19BrN2O/c1-3-7-17-15(14-6-8-19-11(14)2)9-13-5-4-12(16)10-18-13/h4-6,8,10,15,17H,3,7,9H2,1-2H3
InChIKeyRKRNQZLMWVJHCI-UHFFFAOYSA-N
MW323.23 g/mol
LogP4.03
Rot. Bonds6

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

N-[2-(5-bromo-2-pyridinyl)-1-(2-methylfuran-3-yl)ethyl]propan-1-amine (PubChem CID 104804098) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is N-[2-(5-bromo-2-pyridinyl)-1-(2-methylfuran-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(5-bromo-2-pyridinyl)-1-(2-methylfuran-3-yl)ethyl]propan-1-amine
PubChem CID104804098
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC NameN-[2-(5-bromo-2-pyridinyl)-1-(2-methylfuran-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Br)cn1)c1ccoc1C
InChIInChI=1S/C15H19BrN2O/c1-3-7-17-15(14-6-8-19-11(14)2)9-13-5-4-12(16)10-18-13/h4-6,8,10,15,17H,3,7,9H2,1-2H3
InChIKeyRKRNQZLMWVJHCI-UHFFFAOYSA-N
XLogP4.03
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(5-bromo-2-pyridinyl)-1-(2-methylfuran-3-yl)ethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(3,4-dimethylphenyl)ethyl]propan-1-amine
CID 105036368
N-[2-(4-bromo-2-fluorophenyl)-1-(2-methylfuran-3-yl)ethyl]propan-1-amine
CID 104790489
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-[1-(2-bromo-4-fluorophenyl)-2-(5-bromo-2-pyridinyl)ethyl]propan-1-amine
CID 105036047
N-[1-(2-chlorofuran-3-yl)-2-(5-ethyl-2-pyridinyl)ethyl]propan-1-amine
CID 106692662
N-[2-(5-bromo-2-pyridinyl)-1-(2-chloro-4-fluorophenyl)ethyl]propan-1-amine
CID 104801920
3-(5-bromo-2-pyridinyl)-2-methyl-1-phenyl-N-propylpropan-1-amine
CID 104845549
N-[2-(5-bromo-2-pyridinyl)-1-(4-bromothiophen-2-yl)ethyl]propan-1-amine
CID 104802222
1-(5-bromo-2-pyridinyl)-3-phenyl-N-propylpropan-2-amine
CID 104801214

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromo-2-pyridinyl)-1-(2-methylfuran-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(5-bromo-2-pyridinyl)-1-(2-methylfuran-3-yl)ethyl]propan-1-amine (CID 104804098) is N-[2-(5-bromo-2-pyridinyl)-1-(2-methylfuran-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(5-bromo-2-pyridinyl)-1-(2-methylfuran-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(5-bromo-2-pyridinyl)-1-(2-methylfuran-3-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc(Br)cn1)c1ccoc1C.
What is the InChIKey of N-[2-(5-bromo-2-pyridinyl)-1-(2-methylfuran-3-yl)ethyl]propan-1-amine?
The InChIKey is RKRNQZLMWVJHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c1-3-7-17-15(14-6-8-19-11(14)2)9-13-5-4-12(16)10-18-13/h4-6,8,10,15,17H,3,7,9H2,1-2H3.
What are the key properties of N-[2-(5-bromo-2-pyridinyl)-1-(2-methylfuran-3-yl)ethyl]propan-1-amine?
N-[2-(5-bromo-2-pyridinyl)-1-(2-methylfuran-3-yl)ethyl]propan-1-amine has a molecular weight of 323.23 g/mol, XLogP of 4.03, 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-(2-methylfuran-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 104804098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).