1-[(6-bromo-3-pyridinyl)oxymethyl]-N-methylcyclopropan-1-amine;hydrochloride

C10H14BrClN2O — CID 45265980

IUPAC1-[(6-bromo-3-pyridinyl)oxymethyl]-N-methylcyclopropan-1-amine;hydrochloride
SMILESCNC1(COc2ccc(Br)nc2)CC1.Cl
InChIInChI=1S/C10H13BrN2O.ClH/c1-12-10(4-5-10)7-14-8-2-3-9(11)13-6-8;/h2-3,6,12H,4-5,7H2,1H3;1H
InChIKeyDFLSXMGEZDATIW-UHFFFAOYSA-N
MW293.59 g/mol
LogP2.40
Rot. Bonds4

About 1-[(6-bromo-3-pyridinyl)oxymethyl]-N-methylcyclopropan-1-amine;hydrochloride

1-[(6-bromo-3-pyridinyl)oxymethyl]-N-methylcyclopropan-1-amine;hydrochloride (PubChem CID 45265980) has the molecular formula C10H14BrClN2O and a molecular weight of 293.59 g/mol. Its IUPAC name is 1-[(6-bromo-3-pyridinyl)oxymethyl]-N-methylcyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[(6-bromo-3-pyridinyl)oxymethyl]-N-methylcyclopropan-1-amine;hydrochloride
PubChem CID45265980
Molecular FormulaC10H14BrClN2O
Molecular Weight293.59 g/mol
Exact Mass292.00
IUPAC Name1-[(6-bromo-3-pyridinyl)oxymethyl]-N-methylcyclopropan-1-amine;hydrochloride
SMILESCNC1(COc2ccc(Br)nc2)CC1.Cl
InChIInChI=1S/C10H13BrN2O.ClH/c1-12-10(4-5-10)7-14-8-2-3-9(11)13-6-8;/h2-3,6,12H,4-5,7H2,1H3;1H
InChIKeyDFLSXMGEZDATIW-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-bromo-3-pyridinyl)oxymethyl]-N-methylcyclopropan-1-amine;hydrochloride?
The IUPAC name of 1-[(6-bromo-3-pyridinyl)oxymethyl]-N-methylcyclopropan-1-amine;hydrochloride (CID 45265980) is 1-[(6-bromo-3-pyridinyl)oxymethyl]-N-methylcyclopropan-1-amine;hydrochloride.
What is the SMILES notation for 1-[(6-bromo-3-pyridinyl)oxymethyl]-N-methylcyclopropan-1-amine;hydrochloride?
The canonical SMILES for 1-[(6-bromo-3-pyridinyl)oxymethyl]-N-methylcyclopropan-1-amine;hydrochloride is CNC1(COc2ccc(Br)nc2)CC1.Cl.
What is the InChIKey of 1-[(6-bromo-3-pyridinyl)oxymethyl]-N-methylcyclopropan-1-amine;hydrochloride?
The InChIKey is DFLSXMGEZDATIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O.ClH/c1-12-10(4-5-10)7-14-8-2-3-9(11)13-6-8;/h2-3,6,12H,4-5,7H2,1H3;1H.
What are the key properties of 1-[(6-bromo-3-pyridinyl)oxymethyl]-N-methylcyclopropan-1-amine;hydrochloride?
1-[(6-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-[(6-bromo-3-pyridinyl)oxymethyl]-N-methylcyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 45265980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).