N-[[6-(2,5-dichlorophenoxy)-3-pyridinyl]methyl]ethanamine

C14H14Cl2N2O — CID 62296038

IUPACN-[[6-(2,5-dichlorophenoxy)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccc(Oc2cc(Cl)ccc2Cl)nc1
InChIInChI=1S/C14H14Cl2N2O/c1-2-17-8-10-3-6-14(18-9-10)19-13-7-11(15)4-5-12(13)16/h3-7,9,17H,2,8H2,1H3
InChIKeyRMXRCRLIVUKROO-UHFFFAOYSA-N
MW297.19 g/mol
LogP4.29
Rot. Bonds5

About N-[[6-(2,5-dichlorophenoxy)-3-pyridinyl]methyl]ethanamine

N-[[6-(2,5-dichlorophenoxy)-3-pyridinyl]methyl]ethanamine (PubChem CID 62296038) has the molecular formula C14H14Cl2N2O and a molecular weight of 297.19 g/mol. Its IUPAC name is N-[[6-(2,5-dichlorophenoxy)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-(2,5-dichlorophenoxy)-3-pyridinyl]methyl]ethanamine
PubChem CID62296038
Molecular FormulaC14H14Cl2N2O
Molecular Weight297.19 g/mol
Exact Mass296.05
IUPAC NameN-[[6-(2,5-dichlorophenoxy)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccc(Oc2cc(Cl)ccc2Cl)nc1
InChIInChI=1S/C14H14Cl2N2O/c1-2-17-8-10-3-6-14(18-9-10)19-13-7-11(15)4-5-12(13)16/h3-7,9,17H,2,8H2,1H3
InChIKeyRMXRCRLIVUKROO-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-(2,5-dichlorophenoxy)-4-pyridinyl]methyl]ethanamine
CID 62297790
N-[[6-(4-chloro-3-fluorophenoxy)-3-pyridinyl]methyl]ethanamine
CID 82716590
N-[[6-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
CID 65125152
1-[6-(2,4-dichlorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 55058802
N-[[4-(2,5-dichlorophenoxy)-3-fluorophenyl]methyl]ethanamine
CID 43282679
N-[[6-(4-chloro-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62323244
N-[[6-(3,5-dimethoxyphenoxy)-3-pyridinyl]methyl]ethanamine
CID 62297385
N-[[3-bromo-4-[(2,5-dichlorophenoxy)methyl]phenyl]methyl]ethanamine
CID 102772848
N-[[6-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62323080
N-[[6-(2-methylsulfanylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 55244250
N-[[6-(2-bromo-4-chlorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine
CID 62321494
1-[6-(2-chloro-5-nitrophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 80633241

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,5-dichlorophenoxy)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[6-(2,5-dichlorophenoxy)-3-pyridinyl]methyl]ethanamine (CID 62296038) is N-[[6-(2,5-dichlorophenoxy)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[6-(2,5-dichlorophenoxy)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[6-(2,5-dichlorophenoxy)-3-pyridinyl]methyl]ethanamine is CCNCc1ccc(Oc2cc(Cl)ccc2Cl)nc1.
What is the InChIKey of N-[[6-(2,5-dichlorophenoxy)-3-pyridinyl]methyl]ethanamine?
The InChIKey is RMXRCRLIVUKROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O/c1-2-17-8-10-3-6-14(18-9-10)19-13-7-11(15)4-5-12(13)16/h3-7,9,17H,2,8H2,1H3.
What are the key properties of N-[[6-(2,5-dichlorophenoxy)-3-pyridinyl]methyl]ethanamine?
N-[[6-(2,5-dichlorophenoxy)-3-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-[[6-(2,5-dichlorophenoxy)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 62296038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).