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

C14H14Cl2N2O — CID 43706260

IUPACN-[(2,4-dichlorophenyl)methyl]-2-ethoxypyridin-3-amine
SMILESCCOc1ncccc1NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H14Cl2N2O/c1-2-19-14-13(4-3-7-17-14)18-9-10-5-6-11(15)8-12(10)16/h3-8,18H,2,9H2,1H3
InChIKeyBJYBBOGBTPWDKF-UHFFFAOYSA-N
MW297.19 g/mol
LogP4.40
Rot. Bonds5

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

N-[(2,4-dichlorophenyl)methyl]-2-ethoxypyridin-3-amine (PubChem CID 43706260) has the molecular formula C14H14Cl2N2O and a molecular weight of 297.19 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2-ethoxypyridin-3-amine.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2-ethoxypyridin-3-amine
PubChem CID43706260
Molecular FormulaC14H14Cl2N2O
Molecular Weight297.19 g/mol
Exact Mass296.05
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2-ethoxypyridin-3-amine
SMILESCCOc1ncccc1NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H14Cl2N2O/c1-2-19-14-13(4-3-7-17-14)18-9-10-5-6-11(15)8-12(10)16/h3-8,18H,2,9H2,1H3
InChIKeyBJYBBOGBTPWDKF-UHFFFAOYSA-N
XLogP4.40
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-2-methoxypyridin-3-amine
CID 43721777
N-[1-(2,4-dichlorophenyl)ethyl]-2-ethoxypyridin-3-amine
CID 43706442
N-[(3-chloro-4-methylphenyl)methyl]-2-ethoxypyridin-3-amine
CID 106816379
2-ethoxy-N-[(2-methylphenyl)methyl]pyridin-3-amine
CID 43706219
N-[(2-chloro-4-methylphenyl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 106862466
2-ethoxy-N-(naphthalen-1-ylmethyl)pyridin-3-amine
CID 43706191
4-bromo-2-[[(2-ethoxy-3-pyridinyl)amino]methyl]phenol
CID 103823701
2-ethoxy-N-[(4-ethylphenyl)methyl]pyridin-3-amine
CID 43706225
N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-2-ethoxypyridin-3-amine
CID 43706361
N-[(2,4-dichlorophenyl)methyl]-2-methylaniline
CID 28557135
3-bromo-5-chloro-N-[(2,4-dichlorophenyl)methyl]-2-ethoxyaniline
CID 43690723
N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2-ethoxypyridin-3-amine
CID 43706525

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-ethoxypyridin-3-amine?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-ethoxypyridin-3-amine (CID 43706260) is N-[(2,4-dichlorophenyl)methyl]-2-ethoxypyridin-3-amine.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2-ethoxypyridin-3-amine?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2-ethoxypyridin-3-amine is CCOc1ncccc1NCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2-ethoxypyridin-3-amine?
The InChIKey is BJYBBOGBTPWDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O/c1-2-19-14-13(4-3-7-17-14)18-9-10-5-6-11(15)8-12(10)16/h3-8,18H,2,9H2,1H3.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2-ethoxypyridin-3-amine?
N-[(2,4-dichlorophenyl)methyl]-2-ethoxypyridin-3-amine has a molecular weight of 297.19 g/mol, XLogP of 4.40, 5 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-ethoxypyridin-3-amine is sourced from PubChem (CID 43706260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).