N-[(2,4-dibromophenyl)-(3,4-dichlorophenyl)methyl]ethanamine

C15H13Br2Cl2N — CID 107944930

IUPACN-[(2,4-dibromophenyl)-(3,4-dichlorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1Br
InChIInChI=1S/C15H13Br2Cl2N/c1-2-20-15(9-3-6-13(18)14(19)7-9)11-5-4-10(16)8-12(11)17/h3-8,15,20H,2H2,1H3
InChIKeyOITVIBYEOVPRPX-UHFFFAOYSA-N
MW437.99 g/mol
LogP6.22
Rot. Bonds4

About N-[(2,4-dibromophenyl)-(3,4-dichlorophenyl)methyl]ethanamine

N-[(2,4-dibromophenyl)-(3,4-dichlorophenyl)methyl]ethanamine (PubChem CID 107944930) has the molecular formula C15H13Br2Cl2N and a molecular weight of 437.99 g/mol. Its IUPAC name is N-[(2,4-dibromophenyl)-(3,4-dichlorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,4-dibromophenyl)-(3,4-dichlorophenyl)methyl]ethanamine
PubChem CID107944930
Molecular FormulaC15H13Br2Cl2N
Molecular Weight437.99 g/mol
Exact Mass434.88
IUPAC NameN-[(2,4-dibromophenyl)-(3,4-dichlorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1Br
InChIInChI=1S/C15H13Br2Cl2N/c1-2-20-15(9-3-6-13(18)14(19)7-9)11-5-4-10(16)8-12(11)17/h3-8,15,20H,2H2,1H3
InChIKeyOITVIBYEOVPRPX-UHFFFAOYSA-N
XLogP6.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.99
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-bromophenyl)-(3,4-dichlorophenyl)methyl]ethanamine
CID 43492861
N-[(2,4-dibromophenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 107945585
N-[(4-bromothiophen-3-yl)-(3,4-dichlorophenyl)methyl]ethanamine
CID 81491587
N-[(2,4-dibromophenyl)-(2,4-dichlorophenyl)methyl]ethanamine
CID 107950513
N-[(5-bromo-2-chlorophenyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 43625398
N-[(4-bromo-2-chlorophenyl)-(3-bromo-4-fluorophenyl)methyl]ethanamine
CID 79747518
N-[(3-chloro-4-iodophenyl)-(2,5-dibromophenyl)methyl]ethanamine
CID 103220094
N-[(2-bromo-4-fluorophenyl)-(4-bromophenyl)methyl]ethanamine
CID 43488718
N-[(2-bromo-4-fluorophenyl)-(3-chloro-4-methylphenyl)methyl]ethanamine
CID 107560861
N-[(3-chlorothiophen-2-yl)-(2,4-dibromophenyl)methyl]ethanamine
CID 107947216
N-[(4-bromo-2-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43805282
N-[(2-bromo-4-chlorophenyl)-(3-chloro-4-methoxyphenyl)methyl]ethanamine
CID 107987395

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dibromophenyl)-(3,4-dichlorophenyl)methyl]ethanamine?
The IUPAC name of N-[(2,4-dibromophenyl)-(3,4-dichlorophenyl)methyl]ethanamine (CID 107944930) is N-[(2,4-dibromophenyl)-(3,4-dichlorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,4-dibromophenyl)-(3,4-dichlorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(2,4-dibromophenyl)-(3,4-dichlorophenyl)methyl]ethanamine is CCNC(c1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1Br.
What is the InChIKey of N-[(2,4-dibromophenyl)-(3,4-dichlorophenyl)methyl]ethanamine?
The InChIKey is OITVIBYEOVPRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2Cl2N/c1-2-20-15(9-3-6-13(18)14(19)7-9)11-5-4-10(16)8-12(11)17/h3-8,15,20H,2H2,1H3.
What are the key properties of N-[(2,4-dibromophenyl)-(3,4-dichlorophenyl)methyl]ethanamine?
N-[(2,4-dibromophenyl)-(3,4-dichlorophenyl)methyl]ethanamine has a molecular weight of 437.99 g/mol, XLogP of 6.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dibromophenyl)-(3,4-dichlorophenyl)methyl]ethanamine is sourced from PubChem (CID 107944930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).