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

C10H14BrClN2O — CID 45266041

IUPAC1-[(5-bromo-3-pyridinyl)oxymethyl]-N-methylcyclopropan-1-amine;hydrochloride
SMILESCNC1(COc2cncc(Br)c2)CC1.Cl
InChIInChI=1S/C10H13BrN2O.ClH/c1-12-10(2-3-10)7-14-9-4-8(11)5-13-6-9;/h4-6,12H,2-3,7H2,1H3;1H
InChIKeyANRIPGHNXBDSAO-UHFFFAOYSA-N
MW293.59 g/mol
LogP2.40
Rot. Bonds4

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

1-[(5-bromo-3-pyridinyl)oxymethyl]-N-methylcyclopropan-1-amine;hydrochloride (PubChem CID 45266041) has the molecular formula C10H14BrClN2O and a molecular weight of 293.59 g/mol. Its IUPAC name is 1-[(5-bromo-3-pyridinyl)oxymethyl]-N-methylcyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[(5-bromo-3-pyridinyl)oxymethyl]-N-methylcyclopropan-1-amine;hydrochloride
PubChem CID45266041
Molecular FormulaC10H14BrClN2O
Molecular Weight293.59 g/mol
Exact Mass292.00
IUPAC Name1-[(5-bromo-3-pyridinyl)oxymethyl]-N-methylcyclopropan-1-amine;hydrochloride
SMILESCNC1(COc2cncc(Br)c2)CC1.Cl
InChIInChI=1S/C10H13BrN2O.ClH/c1-12-10(2-3-10)7-14-9-4-8(11)5-13-6-9;/h4-6,12H,2-3,7H2,1H3;1H
InChIKeyANRIPGHNXBDSAO-UHFFFAOYSA-N
XLogP2.40
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.59
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-3-pyridinyl)oxymethyl]-N-methylcyclopropan-1-amine;hydrochloride?
The IUPAC name of 1-[(5-bromo-3-pyridinyl)oxymethyl]-N-methylcyclopropan-1-amine;hydrochloride (CID 45266041) is 1-[(5-bromo-3-pyridinyl)oxymethyl]-N-methylcyclopropan-1-amine;hydrochloride.
What is the SMILES notation for 1-[(5-bromo-3-pyridinyl)oxymethyl]-N-methylcyclopropan-1-amine;hydrochloride?
The canonical SMILES for 1-[(5-bromo-3-pyridinyl)oxymethyl]-N-methylcyclopropan-1-amine;hydrochloride is CNC1(COc2cncc(Br)c2)CC1.Cl.
What is the InChIKey of 1-[(5-bromo-3-pyridinyl)oxymethyl]-N-methylcyclopropan-1-amine;hydrochloride?
The InChIKey is ANRIPGHNXBDSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O.ClH/c1-12-10(2-3-10)7-14-9-4-8(11)5-13-6-9;/h4-6,12H,2-3,7H2,1H3;1H.
What are the key properties of 1-[(5-bromo-3-pyridinyl)oxymethyl]-N-methylcyclopropan-1-amine;hydrochloride?
1-[(5-bromo-3-pyridinyl)oxymethyl]-N-methylcyclopropan-1-amine;hydrochloride has a molecular weight of 293.59 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-3-pyridinyl)oxymethyl]-N-methylcyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 45266041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).