N-[[2-(2,5-dichlorophenoxy)-4-pyridinyl]methyl]ethanamine

C14H14Cl2N2O — CID 62297790

IUPACN-[[2-(2,5-dichlorophenoxy)-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccnc(Oc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C14H14Cl2N2O/c1-2-17-9-10-5-6-18-14(7-10)19-13-8-11(15)3-4-12(13)16/h3-8,17H,2,9H2,1H3
InChIKeyMJFGDOFLCRRDNZ-UHFFFAOYSA-N
MW297.19 g/mol
LogP4.29
Rot. Bonds5

About N-[[2-(2,5-dichlorophenoxy)-4-pyridinyl]methyl]ethanamine

N-[[2-(2,5-dichlorophenoxy)-4-pyridinyl]methyl]ethanamine (PubChem CID 62297790) has the molecular formula C14H14Cl2N2O and a molecular weight of 297.19 g/mol. Its IUPAC name is N-[[2-(2,5-dichlorophenoxy)-4-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2,5-dichlorophenoxy)-4-pyridinyl]methyl]ethanamine
PubChem CID62297790
Molecular FormulaC14H14Cl2N2O
Molecular Weight297.19 g/mol
Exact Mass296.05
IUPAC NameN-[[2-(2,5-dichlorophenoxy)-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccnc(Oc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C14H14Cl2N2O/c1-2-17-9-10-5-6-18-14(7-10)19-13-8-11(15)3-4-12(13)16/h3-8,17H,2,9H2,1H3
InChIKeyMJFGDOFLCRRDNZ-UHFFFAOYSA-N
XLogP4.29
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 ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(4-chloro-2-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 62321836
N-[[2-(2-chlorophenoxy)-4-pyridinyl]methyl]ethanamine
CID 62297828
N-[[6-(2,5-dichlorophenoxy)-3-pyridinyl]methyl]ethanamine
CID 62296038
N-[[2-(2,5-difluorophenoxy)-4-pyridinyl]methyl]ethanamine
CID 63272898
N-[[4-(2,5-dichlorophenoxy)-3-fluorophenyl]methyl]ethanamine
CID 43282679
N-[[2-(2,3-dimethylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 62297631
N-[[2-(4-bromo-2-propan-2-ylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 115402661
N-[[2-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methyl]ethanamine
CID 104708297
N-[[2-(2-bromo-4-chlorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62322021
1-[2-(2-chlorophenoxy)-4-pyridinyl]-N-methylmethanamine
CID 55058551
N-[[2-(2,3-dichlorophenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 62298106
N-[[2-(2-methyl-5-propan-2-ylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 62323489

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,5-dichlorophenoxy)-4-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[2-(2,5-dichlorophenoxy)-4-pyridinyl]methyl]ethanamine (CID 62297790) is N-[[2-(2,5-dichlorophenoxy)-4-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2,5-dichlorophenoxy)-4-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2,5-dichlorophenoxy)-4-pyridinyl]methyl]ethanamine is CCNCc1ccnc(Oc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of N-[[2-(2,5-dichlorophenoxy)-4-pyridinyl]methyl]ethanamine?
The InChIKey is MJFGDOFLCRRDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O/c1-2-17-9-10-5-6-18-14(7-10)19-13-8-11(15)3-4-12(13)16/h3-8,17H,2,9H2,1H3.
What are the key properties of N-[[2-(2,5-dichlorophenoxy)-4-pyridinyl]methyl]ethanamine?
N-[[2-(2,5-dichlorophenoxy)-4-pyridinyl]methyl]ethanamine has a molecular weight of 297.19 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,5-dichlorophenoxy)-4-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 62297790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).