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

C11H17BrN2O — CID 115656244

IUPACN-[(5-bromo-2-pyridinyl)methyl]-2-methoxy-2-methylpropan-1-amine
SMILESCOC(C)(C)CNCc1ccc(Br)cn1
InChIInChI=1S/C11H17BrN2O/c1-11(2,15-3)8-13-7-10-5-4-9(12)6-14-10/h4-6,13H,7-8H2,1-3H3
InChIKeyLWPAPHLZWPBXGD-UHFFFAOYSA-N
MW273.17 g/mol
LogP2.36
Rot. Bonds5

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

N-[(5-bromo-2-pyridinyl)methyl]-2-methoxy-2-methylpropan-1-amine (PubChem CID 115656244) has the molecular formula C11H17BrN2O and a molecular weight of 273.17 g/mol. Its IUPAC name is N-[(5-bromo-2-pyridinyl)methyl]-2-methoxy-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-pyridinyl)methyl]-2-methoxy-2-methylpropan-1-amine
PubChem CID115656244
Molecular FormulaC11H17BrN2O
Molecular Weight273.17 g/mol
Exact Mass272.05
IUPAC NameN-[(5-bromo-2-pyridinyl)methyl]-2-methoxy-2-methylpropan-1-amine
SMILESCOC(C)(C)CNCc1ccc(Br)cn1
InChIInChI=1S/C11H17BrN2O/c1-11(2,15-3)8-13-7-10-5-4-9(12)6-14-10/h4-6,13H,7-8H2,1-3H3
InChIKeyLWPAPHLZWPBXGD-UHFFFAOYSA-N
XLogP2.36
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-2-methyl-N-(pyrimidin-4-ylmethyl)propan-1-amine
CID 104759454
N-[(5-bromo-2-pyridinyl)methyl]-2-chloropropan-1-amine
CID 104811160
1-(5-bromo-2-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275506
4-[(5-bromo-2-pyridinyl)methylamino]-1-methoxybutan-2-ol
CID 103876253
1-(5-bromo-2-pyridinyl)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]methanamine
CID 114255534
N-[[5-[(5-bromo-2-pyridinyl)methoxy]-2-pyridinyl]methyl]-2-methoxyethanamine
CID 104796402
[1-(5-bromo-2-pyridinyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
CID 105245333
N-[(5-bromo-2-pyridinyl)methyl]-2-(2-methylpropoxy)ethanamine
CID 115626597
1-(5-bromo-2-pyridinyl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 103735817
1-(5-bromo-2-pyridinyl)-3-methoxy-3-methylbutan-2-one
CID 104799191
4-bromo-N-(2-methoxy-2-methylpropyl)aniline
CID 130906263
2-[(5-bromo-2-pyridinyl)methyl]-N-(2-methoxyethyl)-2-methylbutan-1-amine
CID 104810681

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-pyridinyl)methyl]-2-methoxy-2-methylpropan-1-amine?
The IUPAC name of N-[(5-bromo-2-pyridinyl)methyl]-2-methoxy-2-methylpropan-1-amine (CID 115656244) is N-[(5-bromo-2-pyridinyl)methyl]-2-methoxy-2-methylpropan-1-amine.
What is the SMILES notation for N-[(5-bromo-2-pyridinyl)methyl]-2-methoxy-2-methylpropan-1-amine?
The canonical SMILES for N-[(5-bromo-2-pyridinyl)methyl]-2-methoxy-2-methylpropan-1-amine is COC(C)(C)CNCc1ccc(Br)cn1.
What is the InChIKey of N-[(5-bromo-2-pyridinyl)methyl]-2-methoxy-2-methylpropan-1-amine?
The InChIKey is LWPAPHLZWPBXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O/c1-11(2,15-3)8-13-7-10-5-4-9(12)6-14-10/h4-6,13H,7-8H2,1-3H3.
What are the key properties of N-[(5-bromo-2-pyridinyl)methyl]-2-methoxy-2-methylpropan-1-amine?
N-[(5-bromo-2-pyridinyl)methyl]-2-methoxy-2-methylpropan-1-amine has a molecular weight of 273.17 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-pyridinyl)methyl]-2-methoxy-2-methylpropan-1-amine is sourced from PubChem (CID 115656244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).