N-[(5-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methyl]ethanamine

C15H13BrCl3N — CID 43492925

IUPACN-[(5-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)ccc1Cl)c1cc(Br)ccc1Cl
InChIInChI=1S/C15H13BrCl3N/c1-2-20-15(11-7-9(16)3-5-13(11)18)12-8-10(17)4-6-14(12)19/h3-8,15,20H,2H2,1H3
InChIKeyJVOXVFPFUKNXMN-UHFFFAOYSA-N
MW393.54 g/mol
LogP6.11
Rot. Bonds4

About N-[(5-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methyl]ethanamine

N-[(5-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methyl]ethanamine (PubChem CID 43492925) has the molecular formula C15H13BrCl3N and a molecular weight of 393.54 g/mol. Its IUPAC name is N-[(5-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methyl]ethanamine
PubChem CID43492925
Molecular FormulaC15H13BrCl3N
Molecular Weight393.54 g/mol
Exact Mass390.93
IUPAC NameN-[(5-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)ccc1Cl)c1cc(Br)ccc1Cl
InChIInChI=1S/C15H13BrCl3N/c1-2-20-15(11-7-9(16)3-5-13(11)18)12-8-10(17)4-6-14(12)19/h3-8,15,20H,2H2,1H3
InChIKeyJVOXVFPFUKNXMN-UHFFFAOYSA-N
XLogP6.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.54
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[bis(2,5-dichlorophenyl)methyl]ethanamine
CID 43493009
N-[(3,5-dibromophenyl)-(2,5-dichlorophenyl)methyl]ethanamine
CID 107974842
N-[(5-bromo-2-chlorophenyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 43625398
N-[(5-bromo-2-chlorophenyl)-phenylmethyl]ethanamine
CID 43489055
N-[(5-bromo-2-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 115851389
N-[(2,5-dibromophenyl)-(2,4-dichlorophenyl)methyl]ethanamine
CID 43489635
N-[(2,4-dibromophenyl)-(2,4-dichlorophenyl)methyl]ethanamine
CID 107950513
N-[(5-bromo-2-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methyl]ethanamine
CID 81049108
1-(5-bromo-2-chlorophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine
CID 115863240
N-[(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 43490176
N-[(5-bromo-2-chlorophenyl)-(4-fluoro-2,6-dimethylphenyl)methyl]ethanamine
CID 106878329
N-[bis(2,5-dichlorophenyl)methyl]propan-1-amine
CID 43497710

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methyl]ethanamine?
The IUPAC name of N-[(5-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methyl]ethanamine (CID 43492925) is N-[(5-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(5-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methyl]ethanamine is CCNC(c1cc(Cl)ccc1Cl)c1cc(Br)ccc1Cl.
What is the InChIKey of N-[(5-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methyl]ethanamine?
The InChIKey is JVOXVFPFUKNXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl3N/c1-2-20-15(11-7-9(16)3-5-13(11)18)12-8-10(17)4-6-14(12)19/h3-8,15,20H,2H2,1H3.
What are the key properties of N-[(5-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methyl]ethanamine?
N-[(5-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methyl]ethanamine has a molecular weight of 393.54 g/mol, XLogP of 6.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methyl]ethanamine is sourced from PubChem (CID 43492925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).