1-(2-bromophenyl)-1-(oxolan-3-yloxy)propan-2-amine

C13H18BrNO2 — CID 55220620

IUPAC1-(2-bromophenyl)-1-(oxolan-3-yloxy)propan-2-amine
SMILESCC(N)C(OC1CCOC1)c1ccccc1Br
InChIInChI=1S/C13H18BrNO2/c1-9(15)13(17-10-6-7-16-8-10)11-4-2-3-5-12(11)14/h2-5,9-10,13H,6-8,15H2,1H3
InChIKeyLQGXAEDUKPNEAW-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.64
Rot. Bonds4

About 1-(2-bromophenyl)-1-(oxolan-3-yloxy)propan-2-amine

1-(2-bromophenyl)-1-(oxolan-3-yloxy)propan-2-amine (PubChem CID 55220620) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 1-(2-bromophenyl)-1-(oxolan-3-yloxy)propan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-1-(oxolan-3-yloxy)propan-2-amine
PubChem CID55220620
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name1-(2-bromophenyl)-1-(oxolan-3-yloxy)propan-2-amine
SMILESCC(N)C(OC1CCOC1)c1ccccc1Br
InChIInChI=1S/C13H18BrNO2/c1-9(15)13(17-10-6-7-16-8-10)11-4-2-3-5-12(11)14/h2-5,9-10,13H,6-8,15H2,1H3
InChIKeyLQGXAEDUKPNEAW-UHFFFAOYSA-N
XLogP2.64
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-1-(oxolan-3-yloxy)propan-2-amine?
The IUPAC name of 1-(2-bromophenyl)-1-(oxolan-3-yloxy)propan-2-amine (CID 55220620) is 1-(2-bromophenyl)-1-(oxolan-3-yloxy)propan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)-1-(oxolan-3-yloxy)propan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)-1-(oxolan-3-yloxy)propan-2-amine is CC(N)C(OC1CCOC1)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-1-(oxolan-3-yloxy)propan-2-amine?
The InChIKey is LQGXAEDUKPNEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-9(15)13(17-10-6-7-16-8-10)11-4-2-3-5-12(11)14/h2-5,9-10,13H,6-8,15H2,1H3.
What are the key properties of 1-(2-bromophenyl)-1-(oxolan-3-yloxy)propan-2-amine?
1-(2-bromophenyl)-1-(oxolan-3-yloxy)propan-2-amine has a molecular weight of 300.20 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-1-(oxolan-3-yloxy)propan-2-amine is sourced from PubChem (CID 55220620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).