1-(5-bromo-3-pyridinyl)-3-(1,3-dioxolan-2-yl)propan-2-amine

C11H15BrN2O2 — CID 103544159

IUPAC1-(5-bromo-3-pyridinyl)-3-(1,3-dioxolan-2-yl)propan-2-amine
SMILESNC(Cc1cncc(Br)c1)CC1OCCO1
InChIInChI=1S/C11H15BrN2O2/c12-9-3-8(6-14-7-9)4-10(13)5-11-15-1-2-16-11/h3,6-7,10-11H,1-2,4-5,13H2
InChIKeyUVISICYJDMSVSZ-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.48
Rot. Bonds4

About 1-(5-bromo-3-pyridinyl)-3-(1,3-dioxolan-2-yl)propan-2-amine

1-(5-bromo-3-pyridinyl)-3-(1,3-dioxolan-2-yl)propan-2-amine (PubChem CID 103544159) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-3-(1,3-dioxolan-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-3-(1,3-dioxolan-2-yl)propan-2-amine
PubChem CID103544159
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name1-(5-bromo-3-pyridinyl)-3-(1,3-dioxolan-2-yl)propan-2-amine
SMILESNC(Cc1cncc(Br)c1)CC1OCCO1
InChIInChI=1S/C11H15BrN2O2/c12-9-3-8(6-14-7-9)4-10(13)5-11-15-1-2-16-11/h3,6-7,10-11H,1-2,4-5,13H2
InChIKeyUVISICYJDMSVSZ-UHFFFAOYSA-N
XLogP1.48
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(5-bromo-3-pyridinyl)propan-1-ol
CID 115649533
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CID 114104510
2-(5-bromo-3-pyridinyl)-1-(oxan-3-yl)ethanamine
CID 104802475
1-(5-bromo-3-pyridinyl)octan-2-amine
CID 105036807
1-(1,3-dioxolan-2-yl)-3-(1,2,5-thiadiazol-3-yl)propan-2-amine
CID 131227529
2-(5-bromo-3-pyridinyl)-1-(3-methyloxolan-2-yl)ethanol
CID 115833496
1-(5-bromo-3-pyridinyl)-4-(oxolan-2-yl)butan-2-ol
CID 115833432
1-(3-bromophenyl)sulfanyl-3-(5-bromo-3-pyridinyl)propan-2-amine
CID 104802808
1-(5-bromo-3-pyridinyl)-3-ethylpentan-2-amine
CID 105036917
4-amino-1-(5-bromo-3-pyridinyl)butan-2-ol
CID 104802664
2-(5-bromo-3-pyridinyl)-1-(2-methylcyclopentyl)ethanamine
CID 107190850
1-(5-bromo-3-pyridinyl)-3-(2-fluorophenyl)propan-2-amine
CID 104801584

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-3-(1,3-dioxolan-2-yl)propan-2-amine?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-3-(1,3-dioxolan-2-yl)propan-2-amine (CID 103544159) is 1-(5-bromo-3-pyridinyl)-3-(1,3-dioxolan-2-yl)propan-2-amine.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-3-(1,3-dioxolan-2-yl)propan-2-amine?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-3-(1,3-dioxolan-2-yl)propan-2-amine is NC(Cc1cncc(Br)c1)CC1OCCO1.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-3-(1,3-dioxolan-2-yl)propan-2-amine?
The InChIKey is UVISICYJDMSVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c12-9-3-8(6-14-7-9)4-10(13)5-11-15-1-2-16-11/h3,6-7,10-11H,1-2,4-5,13H2.
What are the key properties of 1-(5-bromo-3-pyridinyl)-3-(1,3-dioxolan-2-yl)propan-2-amine?
1-(5-bromo-3-pyridinyl)-3-(1,3-dioxolan-2-yl)propan-2-amine has a molecular weight of 287.16 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-3-(1,3-dioxolan-2-yl)propan-2-amine is sourced from PubChem (CID 103544159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).