1-[5-bromo-2-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]-N-methylmethanamine

C15H23BrN2O — CID 114342262

IUPAC1-[5-bromo-2-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cc(Br)cnc1OC1CCC(C)(C)CC1
InChIInChI=1S/C15H23BrN2O/c1-15(2)6-4-13(5-7-15)19-14-11(9-17-3)8-12(16)10-18-14/h8,10,13,17H,4-7,9H2,1-3H3
InChIKeyVLSCFVXRYICWEW-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.91
Rot. Bonds4

About 1-[5-bromo-2-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]-N-methylmethanamine

1-[5-bromo-2-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]-N-methylmethanamine (PubChem CID 114342262) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 1-[5-bromo-2-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-bromo-2-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]-N-methylmethanamine
PubChem CID114342262
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name1-[5-bromo-2-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cc(Br)cnc1OC1CCC(C)(C)CC1
InChIInChI=1S/C15H23BrN2O/c1-15(2)6-4-13(5-7-15)19-14-11(9-17-3)8-12(16)10-18-14/h8,10,13,17H,4-7,9H2,1-3H3
InChIKeyVLSCFVXRYICWEW-UHFFFAOYSA-N
XLogP3.91
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.91
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-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[5-bromo-2-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]-N-methylmethanamine (CID 114342262) is 1-[5-bromo-2-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-bromo-2-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-bromo-2-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]-N-methylmethanamine is CNCc1cc(Br)cnc1OC1CCC(C)(C)CC1.
What is the InChIKey of 1-[5-bromo-2-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]-N-methylmethanamine?
The InChIKey is VLSCFVXRYICWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-15(2)6-4-13(5-7-15)19-14-11(9-17-3)8-12(16)10-18-14/h8,10,13,17H,4-7,9H2,1-3H3.
What are the key properties of 1-[5-bromo-2-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]-N-methylmethanamine?
1-[5-bromo-2-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]-N-methylmethanamine has a molecular weight of 327.27 g/mol, XLogP of 3.91, 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-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 114342262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).