1-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-N-methylmethanamine

C13H12Cl2N2O — CID 106486635

IUPAC1-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(Oc2ncc(Cl)cc2Cl)cc1
InChIInChI=1S/C13H12Cl2N2O/c1-16-7-9-2-4-11(5-3-9)18-13-12(15)6-10(14)8-17-13/h2-6,8,16H,7H2,1H3
InChIKeyRMJMHUHMAIMLRL-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.90
Rot. Bonds4

About 1-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-N-methylmethanamine

1-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-N-methylmethanamine (PubChem CID 106486635) has the molecular formula C13H12Cl2N2O and a molecular weight of 283.16 g/mol. Its IUPAC name is 1-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-N-methylmethanamine
PubChem CID106486635
Molecular FormulaC13H12Cl2N2O
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name1-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(Oc2ncc(Cl)cc2Cl)cc1
InChIInChI=1S/C13H12Cl2N2O/c1-16-7-9-2-4-11(5-3-9)18-13-12(15)6-10(14)8-17-13/h2-6,8,16H,7H2,1H3
InChIKeyRMJMHUHMAIMLRL-UHFFFAOYSA-N
XLogP3.90
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 29285859
[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] formate
CID 87870610
1-[5-chloro-6-(2,4,5-trichlorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 62296357
1-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-N-methylmethanamine
CID 107387718
N-methyl-1-[5-methyl-6-(4-propan-2-ylphenoxy)-3-pyridinyl]methanamine
CID 80635782
3,5-dichloro-2-(3-chlorophenoxy)pyridine
CID 91013057
2-chloro-4-[(3,5-dichloro-2-pyridinyl)oxy]phenol
CID 86116326
N-methyl-1-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]methanamine
CID 55031360
1-[3-(5-chloro-2-methoxypyrimidin-4-yl)oxyphenyl]-N-methylmethanamine
CID 106486506
[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]methanol
CID 79869651
N-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-2-methylpropanamide
CID 86996582
1-[4-(5-bromoisoquinolin-1-yl)oxyphenyl]-N-methylmethanamine
CID 106541292

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-N-methylmethanamine (CID 106486635) is 1-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-N-methylmethanamine is CNCc1ccc(Oc2ncc(Cl)cc2Cl)cc1.
What is the InChIKey of 1-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-N-methylmethanamine?
The InChIKey is RMJMHUHMAIMLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O/c1-16-7-9-2-4-11(5-3-9)18-13-12(15)6-10(14)8-17-13/h2-6,8,16H,7H2,1H3.
What are the key properties of 1-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-N-methylmethanamine?
1-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-N-methylmethanamine has a molecular weight of 283.16 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 106486635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).