N-[(5-bromo-2-methoxy-3-pyridinyl)methyl]-2-methylpropan-1-amine

C11H17BrN2O — CID 62292648

IUPACN-[(5-bromo-2-methoxy-3-pyridinyl)methyl]-2-methylpropan-1-amine
SMILESCOc1ncc(Br)cc1CNCC(C)C
InChIInChI=1S/C11H17BrN2O/c1-8(2)5-13-6-9-4-10(12)7-14-11(9)15-3/h4,7-8,13H,5-6H2,1-3H3
InChIKeyDDCMJDGFSDSHPD-UHFFFAOYSA-N
MW273.17 g/mol
LogP2.60
Rot. Bonds5

About N-[(5-bromo-2-methoxy-3-pyridinyl)methyl]-2-methylpropan-1-amine

N-[(5-bromo-2-methoxy-3-pyridinyl)methyl]-2-methylpropan-1-amine (PubChem CID 62292648) has the molecular formula C11H17BrN2O and a molecular weight of 273.17 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxy-3-pyridinyl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxy-3-pyridinyl)methyl]-2-methylpropan-1-amine
PubChem CID62292648
Molecular FormulaC11H17BrN2O
Molecular Weight273.17 g/mol
Exact Mass272.05
IUPAC NameN-[(5-bromo-2-methoxy-3-pyridinyl)methyl]-2-methylpropan-1-amine
SMILESCOc1ncc(Br)cc1CNCC(C)C
InChIInChI=1S/C11H17BrN2O/c1-8(2)5-13-6-9-4-10(12)7-14-11(9)15-3/h4,7-8,13H,5-6H2,1-3H3
InChIKeyDDCMJDGFSDSHPD-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-bromo-2-(3-methoxy-3-methylbutoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 106667606
N-[[5-bromo-2-(3-bromophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 63487635
1-(5-bromo-2-methoxy-3-pyridinyl)-N-methylmethanamine
CID 62292466
N-[[5-bromo-2-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62297526
N-[[5-bromo-2-(2-methylcyclohexyl)oxy-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 63489661
1-[5-bromo-2-(2-methylpropoxy)-3-pyridinyl]-N-methylmethanamine
CID 62290504
N-[(5-bromo-2-pyrazol-1-yl-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 62294142
N-[(5-bromo-2-piperidin-1-yl-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 62281374
N-[[5-bromo-2-(3,4,5-trimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62287917
5-bromo-N-cyclopropyl-N-(2-methylpropyl)-3-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 63487745
N-[(5-bromo-2-ethoxyphenyl)methyl]-2-methylpropan-1-amine
CID 973105
N-[[5-bromo-2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-1-amine
CID 66276171

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxy-3-pyridinyl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(5-bromo-2-methoxy-3-pyridinyl)methyl]-2-methylpropan-1-amine (CID 62292648) is N-[(5-bromo-2-methoxy-3-pyridinyl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(5-bromo-2-methoxy-3-pyridinyl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(5-bromo-2-methoxy-3-pyridinyl)methyl]-2-methylpropan-1-amine is COc1ncc(Br)cc1CNCC(C)C.
What is the InChIKey of N-[(5-bromo-2-methoxy-3-pyridinyl)methyl]-2-methylpropan-1-amine?
The InChIKey is DDCMJDGFSDSHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O/c1-8(2)5-13-6-9-4-10(12)7-14-11(9)15-3/h4,7-8,13H,5-6H2,1-3H3.
What are the key properties of N-[(5-bromo-2-methoxy-3-pyridinyl)methyl]-2-methylpropan-1-amine?
N-[(5-bromo-2-methoxy-3-pyridinyl)methyl]-2-methylpropan-1-amine has a molecular weight of 273.17 g/mol, XLogP of 2.60, 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-methoxy-3-pyridinyl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62292648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).