N-[(2,4-dichlorophenyl)methyl]-2-methoxypyridin-3-amine

C13H12Cl2N2O — CID 43721777

IUPACN-[(2,4-dichlorophenyl)methyl]-2-methoxypyridin-3-amine
SMILESCOc1ncccc1NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H12Cl2N2O/c1-18-13-12(3-2-6-16-13)17-8-9-4-5-10(14)7-11(9)15/h2-7,17H,8H2,1H3
InChIKeyWDFAYLKMHAZXAG-UHFFFAOYSA-N
MW283.16 g/mol
LogP4.01
Rot. Bonds4

About N-[(2,4-dichlorophenyl)methyl]-2-methoxypyridin-3-amine

N-[(2,4-dichlorophenyl)methyl]-2-methoxypyridin-3-amine (PubChem CID 43721777) has the molecular formula C13H12Cl2N2O and a molecular weight of 283.16 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2-methoxypyridin-3-amine.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2-methoxypyridin-3-amine
PubChem CID43721777
Molecular FormulaC13H12Cl2N2O
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2-methoxypyridin-3-amine
SMILESCOc1ncccc1NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H12Cl2N2O/c1-18-13-12(3-2-6-16-13)17-8-9-4-5-10(14)7-11(9)15/h2-7,17H,8H2,1H3
InChIKeyWDFAYLKMHAZXAG-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

N-[(2,4-dichlorophenyl)methyl]-2-ethoxypyridin-3-amine
CID 43706260
2-(2,4-dichlorophenyl)-1-(2-methoxy-3-pyridinyl)ethanone
CID 105088380
N-[(2-chloro-4-methylphenyl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 106862466
N-[(2,4-dichlorophenyl)methyl]-2-methylaniline
CID 28557135
2-methoxy-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pyridin-3-amine
CID 62473316
2,4-dichloro-N-[(2,4-dichlorophenyl)methyl]aniline
CID 13339999
N-[(2,4-dichlorophenyl)methyl]-2-methylsulfanylaniline
CID 43229972
N-[(2,4-dichlorophenyl)methyl]-2-methoxy-4-methylaniline
CID 63451269
N-[(4-chloro-2-fluorophenyl)methyl]-2-methylpyridin-3-amine
CID 114842458
N-[1-(2,5-dichlorophenyl)ethyl]-2-methoxypyridin-3-amine
CID 43721804
2-chloro-6-[(2-methoxy-3-pyridinyl)methylamino]benzonitrile
CID 60733884
4-[[(2-methoxy-3-pyridinyl)amino]methyl]-2,6-dimethylphenol
CID 43721997

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-methoxypyridin-3-amine?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-methoxypyridin-3-amine (CID 43721777) is N-[(2,4-dichlorophenyl)methyl]-2-methoxypyridin-3-amine.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2-methoxypyridin-3-amine?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2-methoxypyridin-3-amine is COc1ncccc1NCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2-methoxypyridin-3-amine?
The InChIKey is WDFAYLKMHAZXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O/c1-18-13-12(3-2-6-16-13)17-8-9-4-5-10(14)7-11(9)15/h2-7,17H,8H2,1H3.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2-methoxypyridin-3-amine?
N-[(2,4-dichlorophenyl)methyl]-2-methoxypyridin-3-amine 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 N-[(2,4-dichlorophenyl)methyl]-2-methoxypyridin-3-amine is sourced from PubChem (CID 43721777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).