5-bromo-N-[1-(oxolan-3-yloxy)propan-2-yl]pyridin-3-amine

C12H17BrN2O2 — CID 133348324

IUPAC5-bromo-N-[1-(oxolan-3-yloxy)propan-2-yl]pyridin-3-amine
SMILESCC(COC1CCOC1)Nc1cncc(Br)c1
InChIInChI=1S/C12H17BrN2O2/c1-9(7-17-12-2-3-16-8-12)15-11-4-10(13)5-14-6-11/h4-6,9,12,15H,2-3,7-8H2,1H3
InChIKeyGNFZEQWWEWXXTO-UHFFFAOYSA-N
MW301.18 g/mol
LogP2.45
Rot. Bonds5

About 5-bromo-N-[1-(oxolan-3-yloxy)propan-2-yl]pyridin-3-amine

5-bromo-N-[1-(oxolan-3-yloxy)propan-2-yl]pyridin-3-amine (PubChem CID 133348324) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 5-bromo-N-[1-(oxolan-3-yloxy)propan-2-yl]pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-[1-(oxolan-3-yloxy)propan-2-yl]pyridin-3-amine
PubChem CID133348324
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name5-bromo-N-[1-(oxolan-3-yloxy)propan-2-yl]pyridin-3-amine
SMILESCC(COC1CCOC1)Nc1cncc(Br)c1
InChIInChI=1S/C12H17BrN2O2/c1-9(7-17-12-2-3-16-8-12)15-11-4-10(13)5-14-6-11/h4-6,9,12,15H,2-3,7-8H2,1H3
InChIKeyGNFZEQWWEWXXTO-UHFFFAOYSA-N
XLogP2.45
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[1-(oxolan-3-yl)ethyl]pyridin-3-amine
CID 115922851
2,6-dimethyl-N-[1-(oxolan-3-yloxy)propan-2-yl]pyrimidin-4-amine
CID 133348335
6-cyclohexyloxy-N-[1-(oxolan-3-yloxy)propan-2-yl]pyrazin-2-amine
CID 133485988
N-methyl-1-(oxolan-3-yloxy)propan-2-amine
CID 63556835
5-bromo-N-(1-methylsulfanylpropan-2-yl)pyridin-3-amine
CID 115657686
5-(difluoromethoxy)-N-[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]pyridin-2-amine
CID 97138326
5-bromo-N-pentan-3-ylpyridin-3-amine
CID 115620552
N-[1-(oxolan-3-yloxy)propan-2-yl]butan-2-amine
CID 115727519
5-bromo-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-3-amine
CID 115657159
(2R)-N-[(2-bromo-5-fluorophenyl)methyl]-1-[(3R)-oxolan-3-yl]oxypropan-2-amine
CID 97102257
6-ethyl-5-fluoro-N-[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]pyrimidin-4-amine
CID 125136142
8-nitro-N-[1-(oxolan-3-yloxy)propan-2-yl]isoquinolin-5-amine
CID 133348413

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(oxolan-3-yloxy)propan-2-yl]pyridin-3-amine?
The IUPAC name of 5-bromo-N-[1-(oxolan-3-yloxy)propan-2-yl]pyridin-3-amine (CID 133348324) is 5-bromo-N-[1-(oxolan-3-yloxy)propan-2-yl]pyridin-3-amine.
What is the SMILES notation for 5-bromo-N-[1-(oxolan-3-yloxy)propan-2-yl]pyridin-3-amine?
The canonical SMILES for 5-bromo-N-[1-(oxolan-3-yloxy)propan-2-yl]pyridin-3-amine is CC(COC1CCOC1)Nc1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[1-(oxolan-3-yloxy)propan-2-yl]pyridin-3-amine?
The InChIKey is GNFZEQWWEWXXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-9(7-17-12-2-3-16-8-12)15-11-4-10(13)5-14-6-11/h4-6,9,12,15H,2-3,7-8H2,1H3.
What are the key properties of 5-bromo-N-[1-(oxolan-3-yloxy)propan-2-yl]pyridin-3-amine?
5-bromo-N-[1-(oxolan-3-yloxy)propan-2-yl]pyridin-3-amine has a molecular weight of 301.18 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(oxolan-3-yloxy)propan-2-yl]pyridin-3-amine is sourced from PubChem (CID 133348324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).