1-[(5-bromo-2-pyridinyl)methoxy]-2-methylpropan-2-amine

C10H15BrN2O — CID 104799626

IUPAC1-[(5-bromo-2-pyridinyl)methoxy]-2-methylpropan-2-amine
SMILESCC(C)(N)COCc1ccc(Br)cn1
InChIInChI=1S/C10H15BrN2O/c1-10(2,12)7-14-6-9-4-3-8(11)5-13-9/h3-5H,6-7,12H2,1-2H3
InChIKeyAZFFULJWVBLIDU-UHFFFAOYSA-N
MW259.15 g/mol
LogP2.10
Rot. Bonds4

About 1-[(5-bromo-2-pyridinyl)methoxy]-2-methylpropan-2-amine

1-[(5-bromo-2-pyridinyl)methoxy]-2-methylpropan-2-amine (PubChem CID 104799626) has the molecular formula C10H15BrN2O and a molecular weight of 259.15 g/mol. Its IUPAC name is 1-[(5-bromo-2-pyridinyl)methoxy]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[(5-bromo-2-pyridinyl)methoxy]-2-methylpropan-2-amine
PubChem CID104799626
Molecular FormulaC10H15BrN2O
Molecular Weight259.15 g/mol
Exact Mass258.04
IUPAC Name1-[(5-bromo-2-pyridinyl)methoxy]-2-methylpropan-2-amine
SMILESCC(C)(N)COCc1ccc(Br)cn1
InChIInChI=1S/C10H15BrN2O/c1-10(2,12)7-14-6-9-4-3-8(11)5-13-9/h3-5H,6-7,12H2,1-2H3
InChIKeyAZFFULJWVBLIDU-UHFFFAOYSA-N
XLogP2.10
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-pyridinyl)methoxy]-2-methylpropan-2-amine?
The IUPAC name of 1-[(5-bromo-2-pyridinyl)methoxy]-2-methylpropan-2-amine (CID 104799626) is 1-[(5-bromo-2-pyridinyl)methoxy]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[(5-bromo-2-pyridinyl)methoxy]-2-methylpropan-2-amine?
The canonical SMILES for 1-[(5-bromo-2-pyridinyl)methoxy]-2-methylpropan-2-amine is CC(C)(N)COCc1ccc(Br)cn1.
What is the InChIKey of 1-[(5-bromo-2-pyridinyl)methoxy]-2-methylpropan-2-amine?
The InChIKey is AZFFULJWVBLIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O/c1-10(2,12)7-14-6-9-4-3-8(11)5-13-9/h3-5H,6-7,12H2,1-2H3.
What are the key properties of 1-[(5-bromo-2-pyridinyl)methoxy]-2-methylpropan-2-amine?
1-[(5-bromo-2-pyridinyl)methoxy]-2-methylpropan-2-amine has a molecular weight of 259.15 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-pyridinyl)methoxy]-2-methylpropan-2-amine is sourced from PubChem (CID 104799626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).