2-[3-chloro-4-(3,5-dichlorophenoxy)phenyl]ethanamine

C14H12Cl3NO — CID 81160567

IUPAC2-[3-chloro-4-(3,5-dichlorophenoxy)phenyl]ethanamine
SMILESNCCc1ccc(Oc2cc(Cl)cc(Cl)c2)c(Cl)c1
InChIInChI=1S/C14H12Cl3NO/c15-10-6-11(16)8-12(7-10)19-14-2-1-9(3-4-18)5-13(14)17/h1-2,5-8H,3-4,18H2
InChIKeyGZFOUSBYGUNUSR-UHFFFAOYSA-N
MW316.62 g/mol
LogP4.94
Rot. Bonds4

About 2-[3-chloro-4-(3,5-dichlorophenoxy)phenyl]ethanamine

2-[3-chloro-4-(3,5-dichlorophenoxy)phenyl]ethanamine (PubChem CID 81160567) has the molecular formula C14H12Cl3NO and a molecular weight of 316.62 g/mol. Its IUPAC name is 2-[3-chloro-4-(3,5-dichlorophenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-chloro-4-(3,5-dichlorophenoxy)phenyl]ethanamine
PubChem CID81160567
Molecular FormulaC14H12Cl3NO
Molecular Weight316.62 g/mol
Exact Mass315.00
IUPAC Name2-[3-chloro-4-(3,5-dichlorophenoxy)phenyl]ethanamine
SMILESNCCc1ccc(Oc2cc(Cl)cc(Cl)c2)c(Cl)c1
InChIInChI=1S/C14H12Cl3NO/c15-10-6-11(16)8-12(7-10)19-14-2-1-9(3-4-18)5-13(14)17/h1-2,5-8H,3-4,18H2
InChIKeyGZFOUSBYGUNUSR-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-[3-chloro-4-(5-chloro-2-methylphenoxy)phenyl]ethanamine
CID 81160082
4-[4-[2-[4-(4-aminophenoxy)-3-chlorophenyl]ethyl]-2-chlorophenoxy]aniline
CID 57316904
2-[3-(3,5-dichlorophenoxy)phenyl]ethanamine
CID 63942155
2-[4-(2-chloro-4-methylphenoxy)phenyl]ethanamine
CID 63801979
2-[4-(3-chlorophenoxy)-3-fluorophenyl]ethanamine
CID 55238186
2-[4-(4-chlorophenoxy)-3-methoxyphenyl]ethanamine
CID 118338803
2-[3-chloro-4-(2,3-dimethylphenoxy)phenyl]ethanamine
CID 81166256
2-[3-(2-chloro-4-fluorophenoxy)phenyl]ethanamine
CID 63941559
2-[4-(2-bromo-4-fluorophenoxy)-3-chlorophenyl]ethanamine
CID 81166401
2-[3-(4-bromo-2-chlorophenoxy)phenyl]ethanamine
CID 63942549
2-[4-(2-chlorophenoxy)phenyl]ethanamine
CID 20993672
2-[3-chloro-4-(2-propoxyphenoxy)phenyl]ethanamine
CID 81159937

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-(3,5-dichlorophenoxy)phenyl]ethanamine?
The IUPAC name of 2-[3-chloro-4-(3,5-dichlorophenoxy)phenyl]ethanamine (CID 81160567) is 2-[3-chloro-4-(3,5-dichlorophenoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[3-chloro-4-(3,5-dichlorophenoxy)phenyl]ethanamine?
The canonical SMILES for 2-[3-chloro-4-(3,5-dichlorophenoxy)phenyl]ethanamine is NCCc1ccc(Oc2cc(Cl)cc(Cl)c2)c(Cl)c1.
What is the InChIKey of 2-[3-chloro-4-(3,5-dichlorophenoxy)phenyl]ethanamine?
The InChIKey is GZFOUSBYGUNUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl3NO/c15-10-6-11(16)8-12(7-10)19-14-2-1-9(3-4-18)5-13(14)17/h1-2,5-8H,3-4,18H2.
What are the key properties of 2-[3-chloro-4-(3,5-dichlorophenoxy)phenyl]ethanamine?
2-[3-chloro-4-(3,5-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-[3-chloro-4-(3,5-dichlorophenoxy)phenyl]ethanamine is sourced from PubChem (CID 81160567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).