1-[2-[(5-chloro-2-pyridinyl)oxy]phenyl]-N-methylmethanamine

C13H13ClN2O — CID 106485445

IUPAC1-[2-[(5-chloro-2-pyridinyl)oxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccccc1Oc1ccc(Cl)cn1
InChIInChI=1S/C13H13ClN2O/c1-15-8-10-4-2-3-5-12(10)17-13-7-6-11(14)9-16-13/h2-7,9,15H,8H2,1H3
InChIKeyZCIWQSYEVBONFL-UHFFFAOYSA-N
MW248.71 g/mol
LogP3.25
Rot. Bonds4

About 1-[2-[(5-chloro-2-pyridinyl)oxy]phenyl]-N-methylmethanamine

1-[2-[(5-chloro-2-pyridinyl)oxy]phenyl]-N-methylmethanamine (PubChem CID 106485445) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 1-[2-[(5-chloro-2-pyridinyl)oxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(5-chloro-2-pyridinyl)oxy]phenyl]-N-methylmethanamine
PubChem CID106485445
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name1-[2-[(5-chloro-2-pyridinyl)oxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccccc1Oc1ccc(Cl)cn1
InChIInChI=1S/C13H13ClN2O/c1-15-8-10-4-2-3-5-12(10)17-13-7-6-11(14)9-16-13/h2-7,9,15H,8H2,1H3
InChIKeyZCIWQSYEVBONFL-UHFFFAOYSA-N
XLogP3.25
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-chloro-2-(2-ethylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928464
N-methyl-1-(2-pyrazin-2-yloxyphenyl)methanamine
CID 106485481
5-chloro-2-(2-methoxyphenoxy)pyridine
CID 66233202
[2-[[5-(methylaminomethyl)-2-pyridinyl]oxy]phenyl]methanol
CID 80633758
1-[2-(5-chloropyrimidin-4-yl)oxyphenyl]-N-methylmethanamine
CID 106485504
1-[2-(2,3-dichlorophenoxy)phenyl]-N-methylmethanamine
CID 43282384
N-methyl-1-(2-quinolin-2-yloxyphenyl)methanamine
CID 106485480
5-chloro-2-(2-propan-2-ylphenoxy)pyridine
CID 66234112
1-[2-(2-ethylphenoxy)phenyl]-N-methylmethanamine
CID 43283795
1-[2-[(2-chloro-3-pyridinyl)methoxy]phenyl]-N-methylmethanamine
CID 106484619
1-[2-[(3-bromo-2-pyridinyl)oxy]phenyl]-N-methylmethanamine
CID 106485270
1-[6-(2,4-dichlorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 55058802

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-chloro-2-pyridinyl)oxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(5-chloro-2-pyridinyl)oxy]phenyl]-N-methylmethanamine (CID 106485445) is 1-[2-[(5-chloro-2-pyridinyl)oxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(5-chloro-2-pyridinyl)oxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(5-chloro-2-pyridinyl)oxy]phenyl]-N-methylmethanamine is CNCc1ccccc1Oc1ccc(Cl)cn1.
What is the InChIKey of 1-[2-[(5-chloro-2-pyridinyl)oxy]phenyl]-N-methylmethanamine?
The InChIKey is ZCIWQSYEVBONFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c1-15-8-10-4-2-3-5-12(10)17-13-7-6-11(14)9-16-13/h2-7,9,15H,8H2,1H3.
What are the key properties of 1-[2-[(5-chloro-2-pyridinyl)oxy]phenyl]-N-methylmethanamine?
1-[2-[(5-chloro-2-pyridinyl)oxy]phenyl]-N-methylmethanamine has a molecular weight of 248.71 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-chloro-2-pyridinyl)oxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 106485445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).