N-[1-(2,5-dichlorophenyl)ethyl]-2-methoxypyridin-3-amine

C14H14Cl2N2O — CID 43721804

IUPACN-[1-(2,5-dichlorophenyl)ethyl]-2-methoxypyridin-3-amine
SMILESCOc1ncccc1NC(C)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H14Cl2N2O/c1-9(11-8-10(15)5-6-12(11)16)18-13-4-3-7-17-14(13)19-2/h3-9,18H,1-2H3
InChIKeyHDPKIPGRIILTSE-UHFFFAOYSA-N
MW297.19 g/mol
LogP4.57
Rot. Bonds4

About N-[1-(2,5-dichlorophenyl)ethyl]-2-methoxypyridin-3-amine

N-[1-(2,5-dichlorophenyl)ethyl]-2-methoxypyridin-3-amine (PubChem CID 43721804) has the molecular formula C14H14Cl2N2O and a molecular weight of 297.19 g/mol. Its IUPAC name is N-[1-(2,5-dichlorophenyl)ethyl]-2-methoxypyridin-3-amine.

Molecular Properties

Compound NameN-[1-(2,5-dichlorophenyl)ethyl]-2-methoxypyridin-3-amine
PubChem CID43721804
Molecular FormulaC14H14Cl2N2O
Molecular Weight297.19 g/mol
Exact Mass296.05
IUPAC NameN-[1-(2,5-dichlorophenyl)ethyl]-2-methoxypyridin-3-amine
SMILESCOc1ncccc1NC(C)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H14Cl2N2O/c1-9(11-8-10(15)5-6-12(11)16)18-13-4-3-7-17-14(13)19-2/h3-9,18H,1-2H3
InChIKeyHDPKIPGRIILTSE-UHFFFAOYSA-N
XLogP4.57
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dichlorophenyl)ethyl]-2-methoxypyridin-3-amine?
The IUPAC name of N-[1-(2,5-dichlorophenyl)ethyl]-2-methoxypyridin-3-amine (CID 43721804) is N-[1-(2,5-dichlorophenyl)ethyl]-2-methoxypyridin-3-amine.
What is the SMILES notation for N-[1-(2,5-dichlorophenyl)ethyl]-2-methoxypyridin-3-amine?
The canonical SMILES for N-[1-(2,5-dichlorophenyl)ethyl]-2-methoxypyridin-3-amine is COc1ncccc1NC(C)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-[1-(2,5-dichlorophenyl)ethyl]-2-methoxypyridin-3-amine?
The InChIKey is HDPKIPGRIILTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O/c1-9(11-8-10(15)5-6-12(11)16)18-13-4-3-7-17-14(13)19-2/h3-9,18H,1-2H3.
What are the key properties of N-[1-(2,5-dichlorophenyl)ethyl]-2-methoxypyridin-3-amine?
N-[1-(2,5-dichlorophenyl)ethyl]-2-methoxypyridin-3-amine has a molecular weight of 297.19 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dichlorophenyl)ethyl]-2-methoxypyridin-3-amine is sourced from PubChem (CID 43721804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).