1-(5-bromo-2-fluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanamine

C14H11BrClF2N — CID 114894465

IUPAC1-(5-bromo-2-fluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanamine
SMILESNC(Cc1ccc(Cl)cc1F)c1cc(Br)ccc1F
InChIInChI=1S/C14H11BrClF2N/c15-9-2-4-12(17)11(6-9)14(19)5-8-1-3-10(16)7-13(8)18/h1-4,6-7,14H,5,19H2
InChIKeyYJKSRQAEVPQNNJ-UHFFFAOYSA-N
MW346.60 g/mol
LogP4.62
Rot. Bonds3

About 1-(5-bromo-2-fluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanamine

1-(5-bromo-2-fluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanamine (PubChem CID 114894465) has the molecular formula C14H11BrClF2N and a molecular weight of 346.60 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanamine
PubChem CID114894465
Molecular FormulaC14H11BrClF2N
Molecular Weight346.60 g/mol
Exact Mass344.97
IUPAC Name1-(5-bromo-2-fluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanamine
SMILESNC(Cc1ccc(Cl)cc1F)c1cc(Br)ccc1F
InChIInChI=1S/C14H11BrClF2N/c15-9-2-4-12(17)11(6-9)14(19)5-8-1-3-10(16)7-13(8)18/h1-4,6-7,14H,5,19H2
InChIKeyYJKSRQAEVPQNNJ-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-(4-chloro-2-fluorophenyl)-1-(2,5-difluorophenyl)ethanamine
CID 114855662
1-(4-bromo-2,6-difluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanamine
CID 105055587
2-(2-bromo-5-fluorophenyl)-1-(5-bromo-2-fluorophenyl)ethanamine
CID 114894635
2-(5-chloro-2-fluorophenyl)-1-(2,4-dibromophenyl)ethanamine
CID 107947077
2-(4-bromo-2-chlorophenyl)-1-(2-fluorophenyl)ethanamine
CID 113471264
2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 105037869
1-(5-bromo-2-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374445
(1S)-1-(5-bromo-2-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171200599
1-(5-chloro-2-fluorophenyl)-2-(2,5-dichlorophenyl)ethanamine
CID 114885921
1-(4-bromo-2-chlorophenyl)-2-(4-chloro-2-fluorophenyl)ethanol
CID 114852756
1-(5-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethanamine
CID 114885798
2-(4-bromo-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethanamine
CID 106691816

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanamine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanamine (CID 114894465) is 1-(5-bromo-2-fluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanamine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanamine is NC(Cc1ccc(Cl)cc1F)c1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanamine?
The InChIKey is YJKSRQAEVPQNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClF2N/c15-9-2-4-12(17)11(6-9)14(19)5-8-1-3-10(16)7-13(8)18/h1-4,6-7,14H,5,19H2.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanamine?
1-(5-bromo-2-fluorophenyl)-2-(4-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-(5-bromo-2-fluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanamine is sourced from PubChem (CID 114894465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).