1-[(5-bromo-3-pyridinyl)oxymethyl]-N,N-dimethylcyclopropan-1-amine;hydrochloride

C11H16BrClN2O — CID 45263712

IUPAC1-[(5-bromo-3-pyridinyl)oxymethyl]-N,N-dimethylcyclopropan-1-amine;hydrochloride
SMILESCN(C)C1(COc2cncc(Br)c2)CC1.Cl
InChIInChI=1S/C11H15BrN2O.ClH/c1-14(2)11(3-4-11)8-15-10-5-9(12)6-13-7-10;/h5-7H,3-4,8H2,1-2H3;1H
InChIKeyUESNBIJLBUTKSH-UHFFFAOYSA-N
MW307.62 g/mol
LogP2.74
Rot. Bonds4

About 1-[(5-bromo-3-pyridinyl)oxymethyl]-N,N-dimethylcyclopropan-1-amine;hydrochloride

1-[(5-bromo-3-pyridinyl)oxymethyl]-N,N-dimethylcyclopropan-1-amine;hydrochloride (PubChem CID 45263712) has the molecular formula C11H16BrClN2O and a molecular weight of 307.62 g/mol. Its IUPAC name is 1-[(5-bromo-3-pyridinyl)oxymethyl]-N,N-dimethylcyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[(5-bromo-3-pyridinyl)oxymethyl]-N,N-dimethylcyclopropan-1-amine;hydrochloride
PubChem CID45263712
Molecular FormulaC11H16BrClN2O
Molecular Weight307.62 g/mol
Exact Mass306.01
IUPAC Name1-[(5-bromo-3-pyridinyl)oxymethyl]-N,N-dimethylcyclopropan-1-amine;hydrochloride
SMILESCN(C)C1(COc2cncc(Br)c2)CC1.Cl
InChIInChI=1S/C11H15BrN2O.ClH/c1-14(2)11(3-4-11)8-15-10-5-9(12)6-13-7-10;/h5-7H,3-4,8H2,1-2H3;1H
InChIKeyUESNBIJLBUTKSH-UHFFFAOYSA-N
XLogP2.74
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.62
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-3-pyridinyl)oxymethyl]-N,N-dimethylcyclopropan-1-amine;hydrochloride?
The IUPAC name of 1-[(5-bromo-3-pyridinyl)oxymethyl]-N,N-dimethylcyclopropan-1-amine;hydrochloride (CID 45263712) is 1-[(5-bromo-3-pyridinyl)oxymethyl]-N,N-dimethylcyclopropan-1-amine;hydrochloride.
What is the SMILES notation for 1-[(5-bromo-3-pyridinyl)oxymethyl]-N,N-dimethylcyclopropan-1-amine;hydrochloride?
The canonical SMILES for 1-[(5-bromo-3-pyridinyl)oxymethyl]-N,N-dimethylcyclopropan-1-amine;hydrochloride is CN(C)C1(COc2cncc(Br)c2)CC1.Cl.
What is the InChIKey of 1-[(5-bromo-3-pyridinyl)oxymethyl]-N,N-dimethylcyclopropan-1-amine;hydrochloride?
The InChIKey is UESNBIJLBUTKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O.ClH/c1-14(2)11(3-4-11)8-15-10-5-9(12)6-13-7-10;/h5-7H,3-4,8H2,1-2H3;1H.
What are the key properties of 1-[(5-bromo-3-pyridinyl)oxymethyl]-N,N-dimethylcyclopropan-1-amine;hydrochloride?
1-[(5-bromo-3-pyridinyl)oxymethyl]-N,N-dimethylcyclopropan-1-amine;hydrochloride has a molecular weight of 307.62 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-3-pyridinyl)oxymethyl]-N,N-dimethylcyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 45263712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).