1-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]-N-ethylethanamine

C15H16Cl2N2O — CID 64600992

IUPAC1-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(Oc2cncc(Cl)c2)c(Cl)c1
InChIInChI=1S/C15H16Cl2N2O/c1-3-19-10(2)11-4-5-15(14(17)6-11)20-13-7-12(16)8-18-9-13/h4-10,19H,3H2,1-2H3
InChIKeyJPALLPDVCLBHRC-UHFFFAOYSA-N
MW311.21 g/mol
LogP4.85
Rot. Bonds5

About 1-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]-N-ethylethanamine

1-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]-N-ethylethanamine (PubChem CID 64600992) has the molecular formula C15H16Cl2N2O and a molecular weight of 311.21 g/mol. Its IUPAC name is 1-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]-N-ethylethanamine
PubChem CID64600992
Molecular FormulaC15H16Cl2N2O
Molecular Weight311.21 g/mol
Exact Mass310.06
IUPAC Name1-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(Oc2cncc(Cl)c2)c(Cl)c1
InChIInChI=1S/C15H16Cl2N2O/c1-3-19-10(2)11-4-5-15(14(17)6-11)20-13-7-12(16)8-18-9-13/h4-10,19H,3H2,1-2H3
InChIKeyJPALLPDVCLBHRC-UHFFFAOYSA-N
XLogP4.85
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-chloro-4-(2,4-dichlorophenoxy)phenyl]-N-ethylethanamine
CID 63533910
N-[1-[3-bromo-4-[(5-chloro-3-pyridinyl)oxy]phenyl]ethyl]propan-1-amine
CID 64600607
1-[4-(4-bromo-2-chlorophenoxy)phenyl]-N-ethylethanamine
CID 43285711
3-chloro-5-(2-chloro-4-methylphenoxy)pyridine
CID 143108341
N-[1-[3-chloro-4-(4-methylphenoxy)phenyl]ethyl]propan-1-amine
CID 63533466
1-[4-(2-bromophenoxy)-3-chlorophenyl]-N-ethylethanamine
CID 63533897
1-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]propan-2-amine
CID 81160569
1-[4-(5-bromo-2-fluorophenoxy)-3-chlorophenyl]-N-ethylethanamine
CID 114673824
1-[4-(4-bromo-2-methylphenoxy)-3-chlorophenyl]-N-ethylethanamine
CID 63533186
1-(3-chloro-4-pyridin-3-yloxyphenyl)-N-methylethanamine
CID 62912252
1-[4-(4-bromo-2-fluorophenoxy)-3-chlorophenyl]-N-ethylethanamine
CID 63532281
1-[3-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]-N-ethylethanamine
CID 102982259

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]-N-ethylethanamine?
The IUPAC name of 1-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]-N-ethylethanamine (CID 64600992) is 1-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]-N-ethylethanamine is CCNC(C)c1ccc(Oc2cncc(Cl)c2)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]-N-ethylethanamine?
The InChIKey is JPALLPDVCLBHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O/c1-3-19-10(2)11-4-5-15(14(17)6-11)20-13-7-12(16)8-18-9-13/h4-10,19H,3H2,1-2H3.
What are the key properties of 1-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]-N-ethylethanamine?
1-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]-N-ethylethanamine has a molecular weight of 311.21 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]-N-ethylethanamine is sourced from PubChem (CID 64600992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).