[3-chloro-4-[(6-methoxy-2-pyridinyl)oxy]phenyl]methanamine

C13H13ClN2O2 — CID 63590629

IUPAC[3-chloro-4-[(6-methoxy-2-pyridinyl)oxy]phenyl]methanamine
SMILESCOc1cccc(Oc2ccc(CN)cc2Cl)n1
InChIInChI=1S/C13H13ClN2O2/c1-17-12-3-2-4-13(16-12)18-11-6-5-9(8-15)7-10(11)14/h2-7H,8,15H2,1H3
InChIKeyCNSPABHUBMVIHL-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.99
Rot. Bonds4

About [3-chloro-4-[(6-methoxy-2-pyridinyl)oxy]phenyl]methanamine

[3-chloro-4-[(6-methoxy-2-pyridinyl)oxy]phenyl]methanamine (PubChem CID 63590629) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is [3-chloro-4-[(6-methoxy-2-pyridinyl)oxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-chloro-4-[(6-methoxy-2-pyridinyl)oxy]phenyl]methanamine
PubChem CID63590629
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name[3-chloro-4-[(6-methoxy-2-pyridinyl)oxy]phenyl]methanamine
SMILESCOc1cccc(Oc2ccc(CN)cc2Cl)n1
InChIInChI=1S/C13H13ClN2O2/c1-17-12-3-2-4-13(16-12)18-11-6-5-9(8-15)7-10(11)14/h2-7H,8,15H2,1H3
InChIKeyCNSPABHUBMVIHL-UHFFFAOYSA-N
XLogP2.99
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-[(6-methoxy-2-pyridinyl)oxy]aniline
CID 63591487
[3-chloro-4-(4-ethyl-2-methoxyphenoxy)phenyl]methanamine
CID 107663669
3-chloro-4-[(6-ethoxy-2-pyridinyl)oxy]aniline
CID 63589176
[4-(4-bromo-2-chlorophenoxy)-3-chlorophenyl]methanamine
CID 63458084
2-[4-[(6-methoxy-2-pyridinyl)oxy]phenyl]ethanamine
CID 63590271
4-[4-(aminomethyl)-2-chlorophenoxy]-5-methoxy-1H-pyrimidin-6-one
CID 114585951
3-chloro-4-[(6-chloro-2-pyridinyl)oxy]aniline
CID 21391500
[4-(aminomethyl)-2-chlorophenyl] acetate
CID 174881739
[3-chloro-4-(2,5-dichlorophenoxy)phenyl]methanamine
CID 63088683
[4-[(6-methoxy-2-pyridinyl)methylsulfanyl]phenyl]methanamine
CID 113384726
[6-(2,4-dichlorophenoxy)-2-pyridinyl]methanol
CID 62240040
3-chloro-2-[(6-methoxy-2-pyridinyl)oxy]aniline
CID 107717898

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-[(6-methoxy-2-pyridinyl)oxy]phenyl]methanamine?
The IUPAC name of [3-chloro-4-[(6-methoxy-2-pyridinyl)oxy]phenyl]methanamine (CID 63590629) is [3-chloro-4-[(6-methoxy-2-pyridinyl)oxy]phenyl]methanamine.
What is the SMILES notation for [3-chloro-4-[(6-methoxy-2-pyridinyl)oxy]phenyl]methanamine?
The canonical SMILES for [3-chloro-4-[(6-methoxy-2-pyridinyl)oxy]phenyl]methanamine is COc1cccc(Oc2ccc(CN)cc2Cl)n1.
What is the InChIKey of [3-chloro-4-[(6-methoxy-2-pyridinyl)oxy]phenyl]methanamine?
The InChIKey is CNSPABHUBMVIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-17-12-3-2-4-13(16-12)18-11-6-5-9(8-15)7-10(11)14/h2-7H,8,15H2,1H3.
What are the key properties of [3-chloro-4-[(6-methoxy-2-pyridinyl)oxy]phenyl]methanamine?
[3-chloro-4-[(6-methoxy-2-pyridinyl)oxy]phenyl]methanamine has a molecular weight of 264.71 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-[(6-methoxy-2-pyridinyl)oxy]phenyl]methanamine is sourced from PubChem (CID 63590629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).