1-[3-chloro-4-(2,4-dichlorophenoxy)phenyl]-N-ethylethanamine

C16H16Cl3NO — CID 63533910

IUPAC1-[3-chloro-4-(2,4-dichlorophenoxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(Oc2ccc(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C16H16Cl3NO/c1-3-20-10(2)11-4-6-15(13(18)8-11)21-16-7-5-12(17)9-14(16)19/h4-10,20H,3H2,1-2H3
InChIKeyULVZXQPMEWWJTQ-UHFFFAOYSA-N
MW344.67 g/mol
LogP6.11
Rot. Bonds5

About 1-[3-chloro-4-(2,4-dichlorophenoxy)phenyl]-N-ethylethanamine

1-[3-chloro-4-(2,4-dichlorophenoxy)phenyl]-N-ethylethanamine (PubChem CID 63533910) has the molecular formula C16H16Cl3NO and a molecular weight of 344.67 g/mol. Its IUPAC name is 1-[3-chloro-4-(2,4-dichlorophenoxy)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[3-chloro-4-(2,4-dichlorophenoxy)phenyl]-N-ethylethanamine
PubChem CID63533910
Molecular FormulaC16H16Cl3NO
Molecular Weight344.67 g/mol
Exact Mass343.03
IUPAC Name1-[3-chloro-4-(2,4-dichlorophenoxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(Oc2ccc(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C16H16Cl3NO/c1-3-20-10(2)11-4-6-15(13(18)8-11)21-16-7-5-12(17)9-14(16)19/h4-10,20H,3H2,1-2H3
InChIKeyULVZXQPMEWWJTQ-UHFFFAOYSA-N
XLogP6.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.67
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(5-bromo-2-fluorophenoxy)-3-chlorophenyl]-N-ethylethanamine
CID 114673824
1-[4-(4-bromo-2-fluorophenoxy)-3-chlorophenyl]-N-ethylethanamine
CID 63532281
1-[4-(2-bromophenoxy)-3-chlorophenyl]-N-ethylethanamine
CID 63533897
1-[4-(4-bromo-2-methylphenoxy)-3-chlorophenyl]-N-ethylethanamine
CID 63533186
1-[3-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]-N-ethylethanamine
CID 102982259
1-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]-N-ethylethanamine
CID 64600992
1-[4-(4-bromo-2-chlorophenoxy)phenyl]-N-ethylethanamine
CID 43285711
4-[2-chloro-4-[1-(ethylamino)ethyl]phenoxy]butan-1-ol
CID 113389746
1-[3-chloro-4-(cyclopropylmethoxy)phenyl]-N-ethylethanamine
CID 62911548
1-[2-chloro-4-[1-(ethylamino)ethyl]phenoxy]butan-2-ol
CID 113389754
1-[3-(2,5-dichlorophenoxy)phenyl]-N-ethylethanamine
CID 79170877
1-(3-chloro-4-cycloheptyloxyphenyl)-N-ethylethanamine
CID 63532897

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(2,4-dichlorophenoxy)phenyl]-N-ethylethanamine?
The IUPAC name of 1-[3-chloro-4-(2,4-dichlorophenoxy)phenyl]-N-ethylethanamine (CID 63533910) is 1-[3-chloro-4-(2,4-dichlorophenoxy)phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[3-chloro-4-(2,4-dichlorophenoxy)phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[3-chloro-4-(2,4-dichlorophenoxy)phenyl]-N-ethylethanamine is CCNC(C)c1ccc(Oc2ccc(Cl)cc2Cl)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-(2,4-dichlorophenoxy)phenyl]-N-ethylethanamine?
The InChIKey is ULVZXQPMEWWJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl3NO/c1-3-20-10(2)11-4-6-15(13(18)8-11)21-16-7-5-12(17)9-14(16)19/h4-10,20H,3H2,1-2H3.
What are the key properties of 1-[3-chloro-4-(2,4-dichlorophenoxy)phenyl]-N-ethylethanamine?
1-[3-chloro-4-(2,4-dichlorophenoxy)phenyl]-N-ethylethanamine has a molecular weight of 344.67 g/mol, XLogP of 6.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(2,4-dichlorophenoxy)phenyl]-N-ethylethanamine is sourced from PubChem (CID 63533910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).