2,6-dichloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline

C13H12Cl2N2O — CID 65468810

IUPAC2,6-dichloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
SMILESCOc1cccc(CNc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C13H12Cl2N2O/c1-18-12-7-2-4-9(17-12)8-16-13-10(14)5-3-6-11(13)15/h2-7,16H,8H2,1H3
InChIKeyGIRJCODESPPAKZ-UHFFFAOYSA-N
MW283.16 g/mol
LogP4.01
Rot. Bonds4

About 2,6-dichloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline

2,6-dichloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline (PubChem CID 65468810) has the molecular formula C13H12Cl2N2O and a molecular weight of 283.16 g/mol. Its IUPAC name is 2,6-dichloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline.

Molecular Properties

Compound Name2,6-dichloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
PubChem CID65468810
Molecular FormulaC13H12Cl2N2O
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name2,6-dichloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
SMILESCOc1cccc(CNc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C13H12Cl2N2O/c1-18-12-7-2-4-9(17-12)8-16-13-10(14)5-3-6-11(13)15/h2-7,16H,8H2,1H3
InChIKeyGIRJCODESPPAKZ-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-3-chloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 103478301
3,4-dichloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 63993150
2,6-diethyl-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 63986273
4-(chloromethyl)-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 65026028
5-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-2-methylaniline
CID 63993319
4-chloro-2-fluoro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 63985866
1-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-2-methylpropan-2-amine
CID 65026847
3-chloro-4-ethoxy-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 103347663
2-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-5-methylsulfonylaniline
CID 103347490
2-chloro-5-[(6-methoxy-2-pyridinyl)methylamino]-N-methylbenzamide
CID 103347678
2-ethoxy-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 63991749
N-[(6-methoxy-2-pyridinyl)methyl]-1-methylpyrazol-4-amine
CID 79769857

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline?
The IUPAC name of 2,6-dichloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline (CID 65468810) is 2,6-dichloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline.
What is the SMILES notation for 2,6-dichloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline?
The canonical SMILES for 2,6-dichloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline is COc1cccc(CNc2c(Cl)cccc2Cl)n1.
What is the InChIKey of 2,6-dichloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline?
The InChIKey is GIRJCODESPPAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O/c1-18-12-7-2-4-9(17-12)8-16-13-10(14)5-3-6-11(13)15/h2-7,16H,8H2,1H3.
What are the key properties of 2,6-dichloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline?
2,6-dichloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline has a molecular weight of 283.16 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline is sourced from PubChem (CID 65468810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).