1-[5-bromo-2-(2-methylpropoxy)-3-pyridinyl]-N-methylmethanamine

C11H17BrN2O — CID 62290504

IUPAC1-[5-bromo-2-(2-methylpropoxy)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cc(Br)cnc1OCC(C)C
InChIInChI=1S/C11H17BrN2O/c1-8(2)7-15-11-9(5-13-3)4-10(12)6-14-11/h4,6,8,13H,5,7H2,1-3H3
InChIKeyZFXSUWNWVRHMPU-UHFFFAOYSA-N
MW273.17 g/mol
LogP2.60
Rot. Bonds5

About 1-[5-bromo-2-(2-methylpropoxy)-3-pyridinyl]-N-methylmethanamine

1-[5-bromo-2-(2-methylpropoxy)-3-pyridinyl]-N-methylmethanamine (PubChem CID 62290504) has the molecular formula C11H17BrN2O and a molecular weight of 273.17 g/mol. Its IUPAC name is 1-[5-bromo-2-(2-methylpropoxy)-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-bromo-2-(2-methylpropoxy)-3-pyridinyl]-N-methylmethanamine
PubChem CID62290504
Molecular FormulaC11H17BrN2O
Molecular Weight273.17 g/mol
Exact Mass272.05
IUPAC Name1-[5-bromo-2-(2-methylpropoxy)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cc(Br)cnc1OCC(C)C
InChIInChI=1S/C11H17BrN2O/c1-8(2)7-15-11-9(5-13-3)4-10(12)6-14-11/h4,6,8,13H,5,7H2,1-3H3
InChIKeyZFXSUWNWVRHMPU-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

1-(5-bromo-2-methoxy-3-pyridinyl)-N-methylmethanamine
CID 62292466
1-(5-bromo-2-propoxy-3-pyridinyl)-N-methylmethanamine
CID 62291153
1-[5-bromo-2-(cyclopropylmethoxy)-3-pyridinyl]-N-methylmethanamine
CID 62291519
N-[(5-bromo-2-methoxy-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 62292648
5-bromo-2-(2-methylpropoxy)-3-(trifluoromethyl)pyridine
CID 134128575
N-[[5-bromo-2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 82005379
1-[5-bromo-2-(3,5-dimethylcyclohexyl)oxy-3-pyridinyl]-N-methylmethanamine
CID 64730620
1-[5-bromo-2-(3-bromo-5-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 81325924
1-[5-bromo-2-(4-chloro-3,5-dimethylphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 62322244
1-[5-fluoro-2-[2-(2-methylpropoxy)ethoxy]-3-pyridinyl]-N-methylmethanamine
CID 114035761
1-[5-bromo-2-(3-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 55058269
1-[5-bromo-2-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]-N-methylmethanamine
CID 114342262

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(2-methylpropoxy)-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[5-bromo-2-(2-methylpropoxy)-3-pyridinyl]-N-methylmethanamine (CID 62290504) is 1-[5-bromo-2-(2-methylpropoxy)-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-bromo-2-(2-methylpropoxy)-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-bromo-2-(2-methylpropoxy)-3-pyridinyl]-N-methylmethanamine is CNCc1cc(Br)cnc1OCC(C)C.
What is the InChIKey of 1-[5-bromo-2-(2-methylpropoxy)-3-pyridinyl]-N-methylmethanamine?
The InChIKey is ZFXSUWNWVRHMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O/c1-8(2)7-15-11-9(5-13-3)4-10(12)6-14-11/h4,6,8,13H,5,7H2,1-3H3.
What are the key properties of 1-[5-bromo-2-(2-methylpropoxy)-3-pyridinyl]-N-methylmethanamine?
1-[5-bromo-2-(2-methylpropoxy)-3-pyridinyl]-N-methylmethanamine 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 1-[5-bromo-2-(2-methylpropoxy)-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 62290504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).