N-[(4-bromo-2-chlorophenyl)-(3-bromo-4-fluorophenyl)methyl]ethanamine

C15H13Br2ClFN — CID 79747518

IUPACN-[(4-bromo-2-chlorophenyl)-(3-bromo-4-fluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)c(Br)c1)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H13Br2ClFN/c1-2-20-15(9-3-6-14(19)12(17)7-9)11-5-4-10(16)8-13(11)18/h3-8,15,20H,2H2,1H3
InChIKeyNTONHJHGURADKJ-UHFFFAOYSA-N
MW421.54 g/mol
LogP5.70
Rot. Bonds4

About N-[(4-bromo-2-chlorophenyl)-(3-bromo-4-fluorophenyl)methyl]ethanamine

N-[(4-bromo-2-chlorophenyl)-(3-bromo-4-fluorophenyl)methyl]ethanamine (PubChem CID 79747518) has the molecular formula C15H13Br2ClFN and a molecular weight of 421.54 g/mol. Its IUPAC name is N-[(4-bromo-2-chlorophenyl)-(3-bromo-4-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromo-2-chlorophenyl)-(3-bromo-4-fluorophenyl)methyl]ethanamine
PubChem CID79747518
Molecular FormulaC15H13Br2ClFN
Molecular Weight421.54 g/mol
Exact Mass418.91
IUPAC NameN-[(4-bromo-2-chlorophenyl)-(3-bromo-4-fluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)c(Br)c1)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H13Br2ClFN/c1-2-20-15(9-3-6-14(19)12(17)7-9)11-5-4-10(16)8-13(11)18/h3-8,15,20H,2H2,1H3
InChIKeyNTONHJHGURADKJ-UHFFFAOYSA-N
XLogP5.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.54
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-bromo-2-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43805282
N-[(3-bromo-4-fluorophenyl)-(4-bromo-2-fluorophenyl)methyl]ethanamine
CID 79746769
N-[(3-bromo-4-fluorophenyl)-(4-bromo-2-methoxyphenyl)methyl]ethanamine
CID 115369013
N-[(4-bromo-2-chlorophenyl)-(2,4-difluorophenyl)methyl]ethanamine
CID 43805280
N-[(2,4-dibromophenyl)-(2,4-dichlorophenyl)methyl]ethanamine
CID 107950513
N-[(4-bromo-2-fluorophenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43491332
N-[(3-bromo-4-fluorophenyl)-(3-bromophenyl)methyl]ethanamine
CID 79747194
N-[(4-bromo-3-chlorophenyl)-(4-chloro-2-fluorophenyl)methyl]ethanamine
CID 105022476
N-[(2,4-dibromophenyl)-(3,4-dichlorophenyl)methyl]ethanamine
CID 107944930
N-[(2,5-dibromophenyl)-(2,4-dichlorophenyl)methyl]ethanamine
CID 43489635
N-[(3-bromo-4-fluorophenyl)-(2-chloro-6-fluorophenyl)methyl]ethanamine
CID 79747189
N-[(4-bromo-3-fluorophenyl)-(4-chloro-2-fluorophenyl)methyl]ethanamine
CID 105022728

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-chlorophenyl)-(3-bromo-4-fluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(4-bromo-2-chlorophenyl)-(3-bromo-4-fluorophenyl)methyl]ethanamine (CID 79747518) is N-[(4-bromo-2-chlorophenyl)-(3-bromo-4-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromo-2-chlorophenyl)-(3-bromo-4-fluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromo-2-chlorophenyl)-(3-bromo-4-fluorophenyl)methyl]ethanamine is CCNC(c1ccc(F)c(Br)c1)c1ccc(Br)cc1Cl.
What is the InChIKey of N-[(4-bromo-2-chlorophenyl)-(3-bromo-4-fluorophenyl)methyl]ethanamine?
The InChIKey is NTONHJHGURADKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2ClFN/c1-2-20-15(9-3-6-14(19)12(17)7-9)11-5-4-10(16)8-13(11)18/h3-8,15,20H,2H2,1H3.
What are the key properties of N-[(4-bromo-2-chlorophenyl)-(3-bromo-4-fluorophenyl)methyl]ethanamine?
N-[(4-bromo-2-chlorophenyl)-(3-bromo-4-fluorophenyl)methyl]ethanamine has a molecular weight of 421.54 g/mol, XLogP of 5.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-chlorophenyl)-(3-bromo-4-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 79747518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).