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

C14H14BrClN2O — CID 104796118

IUPAC1-[2-[(5-bromo-2-pyridinyl)methoxy]-5-chlorophenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)ccc1OCc1ccc(Br)cn1
InChIInChI=1S/C14H14BrClN2O/c1-17-7-10-6-12(16)3-5-14(10)19-9-13-4-2-11(15)8-18-13/h2-6,8,17H,7,9H2,1H3
InChIKeyZCUZQLFYHQFSII-UHFFFAOYSA-N
MW341.64 g/mol
LogP3.80
Rot. Bonds5

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

1-[2-[(5-bromo-2-pyridinyl)methoxy]-5-chlorophenyl]-N-methylmethanamine (PubChem CID 104796118) has the molecular formula C14H14BrClN2O and a molecular weight of 341.64 g/mol. Its IUPAC name is 1-[2-[(5-bromo-2-pyridinyl)methoxy]-5-chlorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(5-bromo-2-pyridinyl)methoxy]-5-chlorophenyl]-N-methylmethanamine
PubChem CID104796118
Molecular FormulaC14H14BrClN2O
Molecular Weight341.64 g/mol
Exact Mass340.00
IUPAC Name1-[2-[(5-bromo-2-pyridinyl)methoxy]-5-chlorophenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)ccc1OCc1ccc(Br)cn1
InChIInChI=1S/C14H14BrClN2O/c1-17-7-10-6-12(16)3-5-14(10)19-9-13-4-2-11(15)8-18-13/h2-6,8,17H,7,9H2,1H3
InChIKeyZCUZQLFYHQFSII-UHFFFAOYSA-N
XLogP3.80
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.64
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-[(2-bromo-4-chlorophenoxy)methyl]pyridine
CID 104809665
1-[5-chloro-2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 43646631
1-[5-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 62699888
N-[[2-[(5-bromo-2-pyridinyl)methoxy]-5-methylphenyl]methyl]ethanamine
CID 104796321
1-(5-chloro-2-phenylmethoxyphenyl)-N-methylmethanamine
CID 961380
1-[2-[(5-bromo-2-pyridinyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 104796464
1-[5-chloro-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 60881259
1-[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 60882008
5-bromo-2-[[2-chloro-4-(chloromethyl)phenoxy]methyl]pyridine
CID 113454507
5-bromo-2-[[4-(bromomethyl)-2-chlorophenoxy]methyl]pyridine
CID 104799142
1-[5-chloro-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]-N-methylmethanamine
CID 60883508
1-[5-chloro-2-[(5-chlorothiophen-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 60882194

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-bromo-2-pyridinyl)methoxy]-5-chlorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(5-bromo-2-pyridinyl)methoxy]-5-chlorophenyl]-N-methylmethanamine (CID 104796118) is 1-[2-[(5-bromo-2-pyridinyl)methoxy]-5-chlorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(5-bromo-2-pyridinyl)methoxy]-5-chlorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(5-bromo-2-pyridinyl)methoxy]-5-chlorophenyl]-N-methylmethanamine is CNCc1cc(Cl)ccc1OCc1ccc(Br)cn1.
What is the InChIKey of 1-[2-[(5-bromo-2-pyridinyl)methoxy]-5-chlorophenyl]-N-methylmethanamine?
The InChIKey is ZCUZQLFYHQFSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2O/c1-17-7-10-6-12(16)3-5-14(10)19-9-13-4-2-11(15)8-18-13/h2-6,8,17H,7,9H2,1H3.
What are the key properties of 1-[2-[(5-bromo-2-pyridinyl)methoxy]-5-chlorophenyl]-N-methylmethanamine?
1-[2-[(5-bromo-2-pyridinyl)methoxy]-5-chlorophenyl]-N-methylmethanamine has a molecular weight of 341.64 g/mol, XLogP of 3.80, 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-2-pyridinyl)methoxy]-5-chlorophenyl]-N-methylmethanamine is sourced from PubChem (CID 104796118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).