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

C15H19BrN2O — CID 104805696

IUPACN-[2-(5-bromo-3-pyridinyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cncc(Br)c1)c1occc1C
InChIInChI=1S/C15H19BrN2O/c1-3-5-18-14(15-11(2)4-6-19-15)8-12-7-13(16)10-17-9-12/h4,6-7,9-10,14,18H,3,5,8H2,1-2H3
InChIKeyVLJSFGFECWINJJ-UHFFFAOYSA-N
MW323.23 g/mol
LogP4.03
Rot. Bonds6

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

N-[2-(5-bromo-3-pyridinyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine (PubChem CID 104805696) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is N-[2-(5-bromo-3-pyridinyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(5-bromo-3-pyridinyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
PubChem CID104805696
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC NameN-[2-(5-bromo-3-pyridinyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cncc(Br)c1)c1occc1C
InChIInChI=1S/C15H19BrN2O/c1-3-5-18-14(15-11(2)4-6-19-15)8-12-7-13(16)10-17-9-12/h4,6-7,9-10,14,18H,3,5,8H2,1-2H3
InChIKeyVLJSFGFECWINJJ-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

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Related Compounds

2-(5-bromo-3-pyridinyl)-1-(3-methylfuran-2-yl)ethanamine
CID 104804107
N-[2-(4-ethylphenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 104806069
N-[2-(4-bromothiophen-2-yl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 113455397
N-[2-(5-bromo-3-pyridinyl)-1-(5-fluoro-2-methylphenyl)ethyl]propan-1-amine
CID 104801776
N-[2-(3-bromo-4-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 104805826
N-[2-(5-bromo-3-pyridinyl)-1-(2-methylpyrimidin-4-yl)ethyl]propan-1-amine
CID 104803750
N-[1-(3-methylfuran-2-yl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 62387853
N-[1-(5-bromo-4-methylthiophen-2-yl)-2-(5-bromo-3-pyridinyl)ethyl]propan-1-amine
CID 105036582
N-[2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 104801058
N-[2-(5-bromo-3-pyridinyl)-1-(6-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 104802078
N-[2-(5-bromo-3-pyridinyl)-1-(3,4-dichlorophenyl)ethyl]propan-1-amine
CID 104803602
1-(3-methylfuran-2-yl)-N-propylpropan-1-amine
CID 104805698

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromo-3-pyridinyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(5-bromo-3-pyridinyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine (CID 104805696) is N-[2-(5-bromo-3-pyridinyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(5-bromo-3-pyridinyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(5-bromo-3-pyridinyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine is CCCNC(Cc1cncc(Br)c1)c1occc1C.
What is the InChIKey of N-[2-(5-bromo-3-pyridinyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine?
The InChIKey is VLJSFGFECWINJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c1-3-5-18-14(15-11(2)4-6-19-15)8-12-7-13(16)10-17-9-12/h4,6-7,9-10,14,18H,3,5,8H2,1-2H3.
What are the key properties of N-[2-(5-bromo-3-pyridinyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine?
N-[2-(5-bromo-3-pyridinyl)-1-(3-methylfuran-2-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-3-pyridinyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 104805696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).