1-(3-bromo-2-fluorophenyl)-2-(5-chloro-2-fluorophenyl)ethanamine

C14H11BrClF2N — CID 107953888

IUPAC1-(3-bromo-2-fluorophenyl)-2-(5-chloro-2-fluorophenyl)ethanamine
SMILESNC(Cc1cc(Cl)ccc1F)c1cccc(Br)c1F
InChIInChI=1S/C14H11BrClF2N/c15-11-3-1-2-10(14(11)18)13(19)7-8-6-9(16)4-5-12(8)17/h1-6,13H,7,19H2
InChIKeyXEFDYJCZNORFGH-UHFFFAOYSA-N
MW346.60 g/mol
LogP4.62
Rot. Bonds3

About 1-(3-bromo-2-fluorophenyl)-2-(5-chloro-2-fluorophenyl)ethanamine

1-(3-bromo-2-fluorophenyl)-2-(5-chloro-2-fluorophenyl)ethanamine (PubChem CID 107953888) has the molecular formula C14H11BrClF2N and a molecular weight of 346.60 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)-2-(5-chloro-2-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)-2-(5-chloro-2-fluorophenyl)ethanamine
PubChem CID107953888
Molecular FormulaC14H11BrClF2N
Molecular Weight346.60 g/mol
Exact Mass344.97
IUPAC Name1-(3-bromo-2-fluorophenyl)-2-(5-chloro-2-fluorophenyl)ethanamine
SMILESNC(Cc1cc(Cl)ccc1F)c1cccc(Br)c1F
InChIInChI=1S/C14H11BrClF2N/c15-11-3-1-2-10(14(11)18)13(19)7-8-6-9(16)4-5-12(8)17/h1-6,13H,7,19H2
InChIKeyXEFDYJCZNORFGH-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

1-(3-bromo-2-fluorophenyl)-2-(5-bromo-2-fluorophenyl)ethanamine
CID 107952664
1-(2-bromo-3-methylphenyl)-2-(5-chloro-2-fluorophenyl)ethanamine
CID 107985554
2-(5-chloro-2-fluorophenyl)-1-(2,4-dibromophenyl)ethanamine
CID 107947077
1-(3-bromo-2-fluorophenyl)-2-(2,6-difluorophenyl)ethanamine
CID 106647905
1-(3-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethanamine
CID 64714150
2-(5-bromo-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanamine
CID 115839801
1-(3-bromo-2-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol
CID 107954021
(1R)-1-(3-bromo-2-fluorophenyl)-2-fluoroethanamine
CID 124707209
[1-(3-bromo-2-chlorophenyl)-2-(5-chloro-2-fluorophenyl)ethyl]hydrazine
CID 103053837
1-(3-bromo-2-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethanamine
CID 115843513
[1-(3-bromo-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethyl]hydrazine
CID 107954217
1-(3-bromo-2-chlorophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine
CID 102866631

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluorophenyl)-2-(5-chloro-2-fluorophenyl)ethanamine?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)-2-(5-chloro-2-fluorophenyl)ethanamine (CID 107953888) is 1-(3-bromo-2-fluorophenyl)-2-(5-chloro-2-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)-2-(5-chloro-2-fluorophenyl)ethanamine?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)-2-(5-chloro-2-fluorophenyl)ethanamine is NC(Cc1cc(Cl)ccc1F)c1cccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)-2-(5-chloro-2-fluorophenyl)ethanamine?
The InChIKey is XEFDYJCZNORFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClF2N/c15-11-3-1-2-10(14(11)18)13(19)7-8-6-9(16)4-5-12(8)17/h1-6,13H,7,19H2.
What are the key properties of 1-(3-bromo-2-fluorophenyl)-2-(5-chloro-2-fluorophenyl)ethanamine?
1-(3-bromo-2-fluorophenyl)-2-(5-chloro-2-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 1-(3-bromo-2-fluorophenyl)-2-(5-chloro-2-fluorophenyl)ethanamine is sourced from PubChem (CID 107953888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).