2-(5-bromo-2-fluorophenyl)-1-(2-chloro-6-fluorophenyl)ethanamine

C14H11BrClF2N — CID 115839362

IUPAC2-(5-bromo-2-fluorophenyl)-1-(2-chloro-6-fluorophenyl)ethanamine
SMILESNC(Cc1cc(Br)ccc1F)c1c(F)cccc1Cl
InChIInChI=1S/C14H11BrClF2N/c15-9-4-5-11(17)8(6-9)7-13(19)14-10(16)2-1-3-12(14)18/h1-6,13H,7,19H2
InChIKeyOKXPJUHXNXDKKD-UHFFFAOYSA-N
MW346.60 g/mol
LogP4.62
Rot. Bonds3

About 2-(5-bromo-2-fluorophenyl)-1-(2-chloro-6-fluorophenyl)ethanamine

2-(5-bromo-2-fluorophenyl)-1-(2-chloro-6-fluorophenyl)ethanamine (PubChem CID 115839362) has the molecular formula C14H11BrClF2N and a molecular weight of 346.60 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-1-(2-chloro-6-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-1-(2-chloro-6-fluorophenyl)ethanamine
PubChem CID115839362
Molecular FormulaC14H11BrClF2N
Molecular Weight346.60 g/mol
Exact Mass344.97
IUPAC Name2-(5-bromo-2-fluorophenyl)-1-(2-chloro-6-fluorophenyl)ethanamine
SMILESNC(Cc1cc(Br)ccc1F)c1c(F)cccc1Cl
InChIInChI=1S/C14H11BrClF2N/c15-9-4-5-11(17)8(6-9)7-13(19)14-10(16)2-1-3-12(14)18/h1-6,13H,7,19H2
InChIKeyOKXPJUHXNXDKKD-UHFFFAOYSA-N
XLogP4.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.60
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-bromo-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanamine
CID 115839801
2-(5-bromo-2-fluorophenyl)-1-(4-chlorophenyl)ethanamine
CID 62607911
2-(5-bromo-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine
CID 115839770
2-(5-bromo-2-fluorophenyl)-1-(2,6-dichlorophenyl)-N-ethylethanamine
CID 115839138
2-(5-bromo-2-fluorophenyl)-1-(2,6-difluorophenyl)ethanol
CID 65148571
[2-(4-bromo-2-fluorophenyl)-1-(2-chloro-6-fluorophenyl)ethyl]hydrazine
CID 105297341
1-(5-bromo-2-fluorophenyl)-3-(2,6-difluorophenyl)propan-2-amine
CID 115839093
(1S)-1-(2-chloro-6-fluorophenyl)-2-fluoroethanamine
CID 124707714
1-(3-bromo-2-fluorophenyl)-2-(5-bromo-2-fluorophenyl)ethanamine
CID 107952664
1-(5-bromo-2-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-amine
CID 115839557
1-(5-bromo-2-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-amine
CID 63412312
1-(2-bromo-6-fluorophenyl)-2-(2,6-dichlorophenyl)ethanamine
CID 114886632

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(2-chloro-6-fluorophenyl)ethanamine?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(2-chloro-6-fluorophenyl)ethanamine (CID 115839362) is 2-(5-bromo-2-fluorophenyl)-1-(2-chloro-6-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-1-(2-chloro-6-fluorophenyl)ethanamine?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-1-(2-chloro-6-fluorophenyl)ethanamine is NC(Cc1cc(Br)ccc1F)c1c(F)cccc1Cl.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-1-(2-chloro-6-fluorophenyl)ethanamine?
The InChIKey is OKXPJUHXNXDKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClF2N/c15-9-4-5-11(17)8(6-9)7-13(19)14-10(16)2-1-3-12(14)18/h1-6,13H,7,19H2.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-1-(2-chloro-6-fluorophenyl)ethanamine?
2-(5-bromo-2-fluorophenyl)-1-(2-chloro-6-fluorophenyl)ethanamine has a molecular weight of 346.60 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-1-(2-chloro-6-fluorophenyl)ethanamine is sourced from PubChem (CID 115839362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).