1-(4-bromo-3-chloro-2-fluorophenyl)-2-(4-chlorophenoxy)ethanamine

C14H11BrCl2FNO — CID 106764386

IUPAC1-(4-bromo-3-chloro-2-fluorophenyl)-2-(4-chlorophenoxy)ethanamine
SMILESNC(COc1ccc(Cl)cc1)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C14H11BrCl2FNO/c15-11-6-5-10(14(18)13(11)17)12(19)7-20-9-3-1-8(16)2-4-9/h1-6,12H,7,19H2
InChIKeyFGENJGNOIYTYHZ-UHFFFAOYSA-N
MW379.06 g/mol
LogP4.97
Rot. Bonds4

About 1-(4-bromo-3-chloro-2-fluorophenyl)-2-(4-chlorophenoxy)ethanamine

1-(4-bromo-3-chloro-2-fluorophenyl)-2-(4-chlorophenoxy)ethanamine (PubChem CID 106764386) has the molecular formula C14H11BrCl2FNO and a molecular weight of 379.06 g/mol. Its IUPAC name is 1-(4-bromo-3-chloro-2-fluorophenyl)-2-(4-chlorophenoxy)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-3-chloro-2-fluorophenyl)-2-(4-chlorophenoxy)ethanamine
PubChem CID106764386
Molecular FormulaC14H11BrCl2FNO
Molecular Weight379.06 g/mol
Exact Mass376.94
IUPAC Name1-(4-bromo-3-chloro-2-fluorophenyl)-2-(4-chlorophenoxy)ethanamine
SMILESNC(COc1ccc(Cl)cc1)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C14H11BrCl2FNO/c15-11-6-5-10(14(18)13(11)17)12(19)7-20-9-3-1-8(16)2-4-9/h1-6,12H,7,19H2
InChIKeyFGENJGNOIYTYHZ-UHFFFAOYSA-N
XLogP4.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.06
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenoxy)-1-(2,3-difluoro-4-methylphenyl)ethanamine
CID 107515309
1-(4-bromo-3-chloro-2-fluorophenyl)-3-phenoxypropan-1-amine
CID 106762218
2-(4-chlorophenoxy)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 105142711
1-(4-bromo-3-chloro-2-fluorophenyl)-4-methoxypentan-1-amine
CID 106764719
1-(4-bromo-3-chloro-2-fluorophenyl)-2-(2,6-difluorophenyl)ethanamine
CID 106764407
2-(4-chlorophenoxy)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 105145392
1-(4-bromo-3-chloro-2-fluorophenyl)-2-methylbutan-1-amine
CID 106762503
2-(4-chlorophenoxy)-1-(4-methoxy-2-methylphenyl)ethanamine
CID 105115241
1-(3-bromo-2,6-difluorophenyl)-2-phenoxyethanamine
CID 106942398
1-(4-bromo-3-chloro-2-fluorophenyl)-2-(3-chlorophenyl)sulfanylethanamine
CID 106762672
1-(4-bromo-3-chloro-2-fluorophenyl)-N-ethyl-2-phenoxyethanamine
CID 106762446
1-(4-bromo-3-chloro-2-fluorophenyl)-4-phenylbutan-1-amine
CID 106764641

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chloro-2-fluorophenyl)-2-(4-chlorophenoxy)ethanamine?
The IUPAC name of 1-(4-bromo-3-chloro-2-fluorophenyl)-2-(4-chlorophenoxy)ethanamine (CID 106764386) is 1-(4-bromo-3-chloro-2-fluorophenyl)-2-(4-chlorophenoxy)ethanamine.
What is the SMILES notation for 1-(4-bromo-3-chloro-2-fluorophenyl)-2-(4-chlorophenoxy)ethanamine?
The canonical SMILES for 1-(4-bromo-3-chloro-2-fluorophenyl)-2-(4-chlorophenoxy)ethanamine is NC(COc1ccc(Cl)cc1)c1ccc(Br)c(Cl)c1F.
What is the InChIKey of 1-(4-bromo-3-chloro-2-fluorophenyl)-2-(4-chlorophenoxy)ethanamine?
The InChIKey is FGENJGNOIYTYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2FNO/c15-11-6-5-10(14(18)13(11)17)12(19)7-20-9-3-1-8(16)2-4-9/h1-6,12H,7,19H2.
What are the key properties of 1-(4-bromo-3-chloro-2-fluorophenyl)-2-(4-chlorophenoxy)ethanamine?
1-(4-bromo-3-chloro-2-fluorophenyl)-2-(4-chlorophenoxy)ethanamine has a molecular weight of 379.06 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chloro-2-fluorophenyl)-2-(4-chlorophenoxy)ethanamine is sourced from PubChem (CID 106764386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).