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

C16H16Br2ClNO — CID 64721082

IUPAC1-[2-chloro-4-(2,4-dibromophenoxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(Oc2ccc(Br)cc2Br)cc1Cl
InChIInChI=1S/C16H16Br2ClNO/c1-3-20-10(2)13-6-5-12(9-15(13)19)21-16-7-4-11(17)8-14(16)18/h4-10,20H,3H2,1-2H3
InChIKeyNVLWVJKHKSVATL-UHFFFAOYSA-N
MW433.57 g/mol
LogP6.33
Rot. Bonds5

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

1-[2-chloro-4-(2,4-dibromophenoxy)phenyl]-N-ethylethanamine (PubChem CID 64721082) has the molecular formula C16H16Br2ClNO and a molecular weight of 433.57 g/mol. Its IUPAC name is 1-[2-chloro-4-(2,4-dibromophenoxy)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-chloro-4-(2,4-dibromophenoxy)phenyl]-N-ethylethanamine
PubChem CID64721082
Molecular FormulaC16H16Br2ClNO
Molecular Weight433.57 g/mol
Exact Mass430.93
IUPAC Name1-[2-chloro-4-(2,4-dibromophenoxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(Oc2ccc(Br)cc2Br)cc1Cl
InChIInChI=1S/C16H16Br2ClNO/c1-3-20-10(2)13-6-5-12(9-15(13)19)21-16-7-4-11(17)8-14(16)18/h4-10,20H,3H2,1-2H3
InChIKeyNVLWVJKHKSVATL-UHFFFAOYSA-N
XLogP6.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.57
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-bromo-2-(3,4-dichlorophenoxy)phenyl]-N-ethylethanamine
CID 82956082
1-[2-chloro-4-(2,4-dibromophenoxy)phenyl]ethanamine
CID 64719767
1-[4-(2,4-dibromophenoxy)phenyl]-N-ethylethanamine
CID 64720013
1-[4-bromo-2-(2-bromo-4-chlorophenoxy)phenyl]-N-ethylethanamine
CID 82954499
1-[4-(4-bromo-2-chlorophenoxy)phenyl]-N-ethylethanamine
CID 43285711
1-[2-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]-N-ethylethanamine
CID 102982237
1-[2-chloro-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]-N-ethylethanamine
CID 106597433
1-[3-(2-bromo-4-chlorophenoxy)phenyl]-N-ethylethanamine
CID 79167858
1-[4-bromo-2-(3-fluorophenoxy)phenyl]-N-ethylethanamine
CID 82975645
1-[2-chloro-4-(1-methylpyrazol-4-yl)oxyphenyl]-N-ethylethanamine
CID 116792891
1-[4-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]-N-ethylethanamine
CID 116689275
1-(4-bromo-2-butoxyphenyl)-N-ethylethanamine
CID 82976092

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(2,4-dibromophenoxy)phenyl]-N-ethylethanamine?
The IUPAC name of 1-[2-chloro-4-(2,4-dibromophenoxy)phenyl]-N-ethylethanamine (CID 64721082) is 1-[2-chloro-4-(2,4-dibromophenoxy)phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-chloro-4-(2,4-dibromophenoxy)phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[2-chloro-4-(2,4-dibromophenoxy)phenyl]-N-ethylethanamine is CCNC(C)c1ccc(Oc2ccc(Br)cc2Br)cc1Cl.
What is the InChIKey of 1-[2-chloro-4-(2,4-dibromophenoxy)phenyl]-N-ethylethanamine?
The InChIKey is NVLWVJKHKSVATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2ClNO/c1-3-20-10(2)13-6-5-12(9-15(13)19)21-16-7-4-11(17)8-14(16)18/h4-10,20H,3H2,1-2H3.
What are the key properties of 1-[2-chloro-4-(2,4-dibromophenoxy)phenyl]-N-ethylethanamine?
1-[2-chloro-4-(2,4-dibromophenoxy)phenyl]-N-ethylethanamine has a molecular weight of 433.57 g/mol, XLogP of 6.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(2,4-dibromophenoxy)phenyl]-N-ethylethanamine is sourced from PubChem (CID 64721082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).