1-(3,5-dibromophenyl)-2-(2,6-dichlorophenyl)ethanamine

C14H11Br2Cl2N — CID 107974218

IUPAC1-(3,5-dibromophenyl)-2-(2,6-dichlorophenyl)ethanamine
SMILESNC(Cc1c(Cl)cccc1Cl)c1cc(Br)cc(Br)c1
InChIInChI=1S/C14H11Br2Cl2N/c15-9-4-8(5-10(16)6-9)14(19)7-11-12(17)2-1-3-13(11)18/h1-6,14H,7,19H2
InChIKeyOKPUCQKDJHOEBI-UHFFFAOYSA-N
MW423.96 g/mol
LogP5.76
Rot. Bonds3

About 1-(3,5-dibromophenyl)-2-(2,6-dichlorophenyl)ethanamine

1-(3,5-dibromophenyl)-2-(2,6-dichlorophenyl)ethanamine (PubChem CID 107974218) has the molecular formula C14H11Br2Cl2N and a molecular weight of 423.96 g/mol. Its IUPAC name is 1-(3,5-dibromophenyl)-2-(2,6-dichlorophenyl)ethanamine.

Molecular Properties

Compound Name1-(3,5-dibromophenyl)-2-(2,6-dichlorophenyl)ethanamine
PubChem CID107974218
Molecular FormulaC14H11Br2Cl2N
Molecular Weight423.96 g/mol
Exact Mass420.86
IUPAC Name1-(3,5-dibromophenyl)-2-(2,6-dichlorophenyl)ethanamine
SMILESNC(Cc1c(Cl)cccc1Cl)c1cc(Br)cc(Br)c1
InChIInChI=1S/C14H11Br2Cl2N/c15-9-4-8(5-10(16)6-9)14(19)7-11-12(17)2-1-3-13(11)18/h1-6,14H,7,19H2
InChIKeyOKPUCQKDJHOEBI-UHFFFAOYSA-N
XLogP5.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.96
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-3,5-dimethylphenyl)-2-(2,6-dichlorophenyl)ethanamine
CID 114330130
2-(2,6-dichlorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 63414806
2-(2,6-dichlorophenyl)-1-phenylethanamine
CID 55133818
1-(3-bromophenyl)-2-(2,3-dichlorophenyl)ethanamine
CID 107308364
1-(3,5-dibromophenyl)-2-(2,4-dichlorophenyl)ethanamine
CID 107974357
2-(2,6-dichlorophenyl)-1-(3-fluoro-5-methylphenyl)ethanamine
CID 79704202
2-(2,6-dichlorophenyl)-1-(3,4-difluorophenyl)ethanamine
CID 62600681
2-(2,6-dichlorophenyl)-1-pyrimidin-5-ylethanamine
CID 55078463
2-(2,6-dichlorophenyl)-1-(5-methylthiophen-3-yl)ethanamine
CID 65104969
2-(2,6-dichlorophenyl)-1-(4-ethylphenyl)ethanamine
CID 63412435
1-(3-bromo-5-fluorophenyl)-2-(3-chlorophenyl)ethanamine
CID 62504437
2-(2,6-dichlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine
CID 62606810

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dibromophenyl)-2-(2,6-dichlorophenyl)ethanamine?
The IUPAC name of 1-(3,5-dibromophenyl)-2-(2,6-dichlorophenyl)ethanamine (CID 107974218) is 1-(3,5-dibromophenyl)-2-(2,6-dichlorophenyl)ethanamine.
What is the SMILES notation for 1-(3,5-dibromophenyl)-2-(2,6-dichlorophenyl)ethanamine?
The canonical SMILES for 1-(3,5-dibromophenyl)-2-(2,6-dichlorophenyl)ethanamine is NC(Cc1c(Cl)cccc1Cl)c1cc(Br)cc(Br)c1.
What is the InChIKey of 1-(3,5-dibromophenyl)-2-(2,6-dichlorophenyl)ethanamine?
The InChIKey is OKPUCQKDJHOEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2Cl2N/c15-9-4-8(5-10(16)6-9)14(19)7-11-12(17)2-1-3-13(11)18/h1-6,14H,7,19H2.
What are the key properties of 1-(3,5-dibromophenyl)-2-(2,6-dichlorophenyl)ethanamine?
1-(3,5-dibromophenyl)-2-(2,6-dichlorophenyl)ethanamine has a molecular weight of 423.96 g/mol, XLogP of 5.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dibromophenyl)-2-(2,6-dichlorophenyl)ethanamine is sourced from PubChem (CID 107974218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).