1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-chlorophenyl]-N-methylethanamine

C15H16BrClN2O — CID 104796252

IUPAC1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-chlorophenyl]-N-methylethanamine
SMILESCNC(C)c1cc(Cl)ccc1OCc1cncc(Br)c1
InChIInChI=1S/C15H16BrClN2O/c1-10(18-2)14-6-13(17)3-4-15(14)20-9-11-5-12(16)8-19-7-11/h3-8,10,18H,9H2,1-2H3
InChIKeyYSNCRLDAAKXWPV-UHFFFAOYSA-N
MW355.66 g/mol
LogP4.36
Rot. Bonds5

About 1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-chlorophenyl]-N-methylethanamine

1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-chlorophenyl]-N-methylethanamine (PubChem CID 104796252) has the molecular formula C15H16BrClN2O and a molecular weight of 355.66 g/mol. Its IUPAC name is 1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-chlorophenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-chlorophenyl]-N-methylethanamine
PubChem CID104796252
Molecular FormulaC15H16BrClN2O
Molecular Weight355.66 g/mol
Exact Mass354.01
IUPAC Name1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-chlorophenyl]-N-methylethanamine
SMILESCNC(C)c1cc(Cl)ccc1OCc1cncc(Br)c1
InChIInChI=1S/C15H16BrClN2O/c1-10(18-2)14-6-13(17)3-4-15(14)20-9-11-5-12(16)8-19-7-11/h3-8,10,18H,9H2,1-2H3
InChIKeyYSNCRLDAAKXWPV-UHFFFAOYSA-N
XLogP4.36
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 ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-phenylmethoxyphenyl)-N-methylethanamine
CID 62073023
3-bromo-5-[(2,4-dichlorophenoxy)methyl]pyridine
CID 115580492
1-[2-[(4-bromothiophen-2-yl)methoxy]-5-chlorophenyl]-N-methylethanamine
CID 62073711
N-methyl-1-[5-methyl-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
CID 102880374
1-[5-chloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
CID 103046401
1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-chlorophenyl]butan-2-amine
CID 104807746
1-[5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
CID 114847977
(1S)-1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-methylphenyl]ethanol
CID 104798701
(1R)-1-[5-chloro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
CID 102880442
1-[5-chloro-2-[(2-chloro-4-methylphenyl)methoxy]phenyl]-N-methylethanamine
CID 106861750
1-[2-[(2-bromo-4-fluorophenyl)methoxy]-5-chlorophenyl]-N-methylethanamine
CID 63499236
1-[5-chloro-2-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine
CID 66154177

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-chlorophenyl]-N-methylethanamine?
The IUPAC name of 1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-chlorophenyl]-N-methylethanamine (CID 104796252) is 1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-chlorophenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-chlorophenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-chlorophenyl]-N-methylethanamine is CNC(C)c1cc(Cl)ccc1OCc1cncc(Br)c1.
What is the InChIKey of 1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-chlorophenyl]-N-methylethanamine?
The InChIKey is YSNCRLDAAKXWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN2O/c1-10(18-2)14-6-13(17)3-4-15(14)20-9-11-5-12(16)8-19-7-11/h3-8,10,18H,9H2,1-2H3.
What are the key properties of 1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-chlorophenyl]-N-methylethanamine?
1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-chlorophenyl]-N-methylethanamine has a molecular weight of 355.66 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-chlorophenyl]-N-methylethanamine is sourced from PubChem (CID 104796252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).