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

C15H13BrCl2FN — CID 106647833

IUPACN-[(3-bromo-2-fluorophenyl)-(2,4-dichlorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)cc1Cl)c1cccc(Br)c1F
InChIInChI=1S/C15H13BrCl2FN/c1-2-20-15(10-7-6-9(17)8-13(10)18)11-4-3-5-12(16)14(11)19/h3-8,15,20H,2H2,1H3
InChIKeyDLJZWTNVJVUEIE-UHFFFAOYSA-N
MW377.08 g/mol
LogP5.59
Rot. Bonds4

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

N-[(3-bromo-2-fluorophenyl)-(2,4-dichlorophenyl)methyl]ethanamine (PubChem CID 106647833) has the molecular formula C15H13BrCl2FN and a molecular weight of 377.08 g/mol. Its IUPAC name is N-[(3-bromo-2-fluorophenyl)-(2,4-dichlorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromo-2-fluorophenyl)-(2,4-dichlorophenyl)methyl]ethanamine
PubChem CID106647833
Molecular FormulaC15H13BrCl2FN
Molecular Weight377.08 g/mol
Exact Mass374.96
IUPAC NameN-[(3-bromo-2-fluorophenyl)-(2,4-dichlorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)cc1Cl)c1cccc(Br)c1F
InChIInChI=1S/C15H13BrCl2FN/c1-2-20-15(10-7-6-9(17)8-13(10)18)11-4-3-5-12(16)14(11)19/h3-8,15,20H,2H2,1H3
InChIKeyDLJZWTNVJVUEIE-UHFFFAOYSA-N
XLogP5.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.08
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-bromo-2-chlorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 115855252
N-[(2,4-dibromophenyl)-(2,4-dichlorophenyl)methyl]ethanamine
CID 107950513
N-[(3-bromo-2-fluorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine
CID 106647623
N-[(3-bromo-2-fluorophenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 106645960
N-[(2-chloro-6-fluorophenyl)-(2,4-dichlorophenyl)methyl]ethanamine
CID 63501905
N-[(4-bromo-2,6-difluorophenyl)-(3-bromo-2-fluorophenyl)methyl]ethanamine
CID 106648036
N-[(2,5-dibromophenyl)-(2,4-dichlorophenyl)methyl]ethanamine
CID 43489635
N-[(4-bromo-5-chloro-2-fluorophenyl)-(3-chloro-2-fluorophenyl)methyl]ethanamine
CID 105399020
N-[(2-bromo-6-fluorophenyl)-(3-bromo-2-fluorophenyl)methyl]ethanamine
CID 106646204
N-[(2-chloro-4-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 62944886
N-[(3-bromo-2-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methyl]ethanamine
CID 107953676
N-[(4-bromo-3-chloro-2-fluorophenyl)-(2-chloro-4-methylphenyl)methyl]ethanamine
CID 106859024

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-2-fluorophenyl)-(2,4-dichlorophenyl)methyl]ethanamine?
The IUPAC name of N-[(3-bromo-2-fluorophenyl)-(2,4-dichlorophenyl)methyl]ethanamine (CID 106647833) is N-[(3-bromo-2-fluorophenyl)-(2,4-dichlorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-bromo-2-fluorophenyl)-(2,4-dichlorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-bromo-2-fluorophenyl)-(2,4-dichlorophenyl)methyl]ethanamine is CCNC(c1ccc(Cl)cc1Cl)c1cccc(Br)c1F.
What is the InChIKey of N-[(3-bromo-2-fluorophenyl)-(2,4-dichlorophenyl)methyl]ethanamine?
The InChIKey is DLJZWTNVJVUEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2FN/c1-2-20-15(10-7-6-9(17)8-13(10)18)11-4-3-5-12(16)14(11)19/h3-8,15,20H,2H2,1H3.
What are the key properties of N-[(3-bromo-2-fluorophenyl)-(2,4-dichlorophenyl)methyl]ethanamine?
N-[(3-bromo-2-fluorophenyl)-(2,4-dichlorophenyl)methyl]ethanamine has a molecular weight of 377.08 g/mol, XLogP of 5.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-2-fluorophenyl)-(2,4-dichlorophenyl)methyl]ethanamine is sourced from PubChem (CID 106647833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).