N-[[5-bromo-2-(2-chloro-4-methylphenoxy)-3-pyridinyl]methyl]ethanamine

C15H16BrClN2O — CID 62672744

IUPACN-[[5-bromo-2-(2-chloro-4-methylphenoxy)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cc(Br)cnc1Oc1ccc(C)cc1Cl
InChIInChI=1S/C15H16BrClN2O/c1-3-18-8-11-7-12(16)9-19-15(11)20-14-5-4-10(2)6-13(14)17/h4-7,9,18H,3,8H2,1-2H3
InChIKeyDOIDDKHITOGZHU-UHFFFAOYSA-N
MW355.66 g/mol
LogP4.71
Rot. Bonds5

About N-[[5-bromo-2-(2-chloro-4-methylphenoxy)-3-pyridinyl]methyl]ethanamine

N-[[5-bromo-2-(2-chloro-4-methylphenoxy)-3-pyridinyl]methyl]ethanamine (PubChem CID 62672744) has the molecular formula C15H16BrClN2O and a molecular weight of 355.66 g/mol. Its IUPAC name is N-[[5-bromo-2-(2-chloro-4-methylphenoxy)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-bromo-2-(2-chloro-4-methylphenoxy)-3-pyridinyl]methyl]ethanamine
PubChem CID62672744
Molecular FormulaC15H16BrClN2O
Molecular Weight355.66 g/mol
Exact Mass354.01
IUPAC NameN-[[5-bromo-2-(2-chloro-4-methylphenoxy)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cc(Br)cnc1Oc1ccc(C)cc1Cl
InChIInChI=1S/C15H16BrClN2O/c1-3-18-8-11-7-12(16)9-19-15(11)20-14-5-4-10(2)6-13(14)17/h4-7,9,18H,3,8H2,1-2H3
InChIKeyDOIDDKHITOGZHU-UHFFFAOYSA-N
XLogP4.71
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.66
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-(2-chloro-4-methylphenoxy)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[5-bromo-2-(2-chloro-4-methylphenoxy)-3-pyridinyl]methyl]ethanamine (CID 62672744) is N-[[5-bromo-2-(2-chloro-4-methylphenoxy)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-bromo-2-(2-chloro-4-methylphenoxy)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[5-bromo-2-(2-chloro-4-methylphenoxy)-3-pyridinyl]methyl]ethanamine is CCNCc1cc(Br)cnc1Oc1ccc(C)cc1Cl.
What is the InChIKey of N-[[5-bromo-2-(2-chloro-4-methylphenoxy)-3-pyridinyl]methyl]ethanamine?
The InChIKey is DOIDDKHITOGZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN2O/c1-3-18-8-11-7-12(16)9-19-15(11)20-14-5-4-10(2)6-13(14)17/h4-7,9,18H,3,8H2,1-2H3.
What are the key properties of N-[[5-bromo-2-(2-chloro-4-methylphenoxy)-3-pyridinyl]methyl]ethanamine?
N-[[5-bromo-2-(2-chloro-4-methylphenoxy)-3-pyridinyl]methyl]ethanamine has a molecular weight of 355.66 g/mol, XLogP of 4.71, 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-(2-chloro-4-methylphenoxy)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 62672744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).