2-[2-chloro-6-(2,3-dichlorophenoxy)phenyl]ethanamine

C14H12Cl3NO — CID 63815236

IUPAC2-[2-chloro-6-(2,3-dichlorophenoxy)phenyl]ethanamine
SMILESNCCc1c(Cl)cccc1Oc1cccc(Cl)c1Cl
InChIInChI=1S/C14H12Cl3NO/c15-10-3-1-5-12(9(10)7-8-18)19-13-6-2-4-11(16)14(13)17/h1-6H,7-8,18H2
InChIKeyJKGHPKGGYONPPZ-UHFFFAOYSA-N
MW316.62 g/mol
LogP4.94
Rot. Bonds4

About 2-[2-chloro-6-(2,3-dichlorophenoxy)phenyl]ethanamine

2-[2-chloro-6-(2,3-dichlorophenoxy)phenyl]ethanamine (PubChem CID 63815236) has the molecular formula C14H12Cl3NO and a molecular weight of 316.62 g/mol. Its IUPAC name is 2-[2-chloro-6-(2,3-dichlorophenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-chloro-6-(2,3-dichlorophenoxy)phenyl]ethanamine
PubChem CID63815236
Molecular FormulaC14H12Cl3NO
Molecular Weight316.62 g/mol
Exact Mass315.00
IUPAC Name2-[2-chloro-6-(2,3-dichlorophenoxy)phenyl]ethanamine
SMILESNCCc1c(Cl)cccc1Oc1cccc(Cl)c1Cl
InChIInChI=1S/C14H12Cl3NO/c15-10-3-1-5-12(9(10)7-8-18)19-13-6-2-4-11(16)14(13)17/h1-6H,7-8,18H2
InChIKeyJKGHPKGGYONPPZ-UHFFFAOYSA-N
XLogP4.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.62
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-chloro-6-(2-fluorophenoxy)phenyl]ethanamine
CID 63815774
2-[2-chloro-6-(2-methoxyphenoxy)phenyl]ethanamine
CID 55238568
2-[2-chloro-6-(4-methylphenoxy)phenyl]ethanamine
CID 63816618
2-[2-chloro-6-(3,5-dimethylphenoxy)phenyl]ethanamine
CID 63802937
2-[2-chloro-6-(2-methoxy-4-methylphenoxy)phenyl]ethanamine
CID 63815220
2-[2-chloro-6-(3-fluorophenoxy)phenyl]ethanamine
CID 55238754
2-[6-(2,3-dichlorophenoxy)-3-pyridinyl]ethanamine
CID 80639795
1,2-dichloro-3-(2,6-dichlorophenoxy)benzene
CID 72941859
[2-chloro-6-(2-chlorophenoxy)phenyl]methanamine
CID 28966120
2-[2-chloro-6-(2-methylprop-2-enoxy)phenyl]ethanamine
CID 114321489
2-(2-chloro-6-decoxyphenyl)ethanamine
CID 114321578
1,2-dichloro-3-(2,5-dichlorophenoxy)benzene
CID 72941858

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-(2,3-dichlorophenoxy)phenyl]ethanamine?
The IUPAC name of 2-[2-chloro-6-(2,3-dichlorophenoxy)phenyl]ethanamine (CID 63815236) is 2-[2-chloro-6-(2,3-dichlorophenoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[2-chloro-6-(2,3-dichlorophenoxy)phenyl]ethanamine?
The canonical SMILES for 2-[2-chloro-6-(2,3-dichlorophenoxy)phenyl]ethanamine is NCCc1c(Cl)cccc1Oc1cccc(Cl)c1Cl.
What is the InChIKey of 2-[2-chloro-6-(2,3-dichlorophenoxy)phenyl]ethanamine?
The InChIKey is JKGHPKGGYONPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl3NO/c15-10-3-1-5-12(9(10)7-8-18)19-13-6-2-4-11(16)14(13)17/h1-6H,7-8,18H2.
What are the key properties of 2-[2-chloro-6-(2,3-dichlorophenoxy)phenyl]ethanamine?
2-[2-chloro-6-(2,3-dichlorophenoxy)phenyl]ethanamine has a molecular weight of 316.62 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-(2,3-dichlorophenoxy)phenyl]ethanamine is sourced from PubChem (CID 63815236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).