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

C14H12BrF2N — CID 61078893

IUPAC1-(4-bromo-2-fluorophenyl)-2-(2-fluorophenyl)ethanamine
SMILESNC(Cc1ccccc1F)c1ccc(Br)cc1F
InChIInChI=1S/C14H12BrF2N/c15-10-5-6-11(13(17)8-10)14(18)7-9-3-1-2-4-12(9)16/h1-6,8,14H,7,18H2
InChIKeyUYRJUZQVCCCIAN-UHFFFAOYSA-N
MW312.16 g/mol
LogP3.97
Rot. Bonds3

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

1-(4-bromo-2-fluorophenyl)-2-(2-fluorophenyl)ethanamine (PubChem CID 61078893) has the molecular formula C14H12BrF2N and a molecular weight of 312.16 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-2-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-2-(2-fluorophenyl)ethanamine
PubChem CID61078893
Molecular FormulaC14H12BrF2N
Molecular Weight312.16 g/mol
Exact Mass311.01
IUPAC Name1-(4-bromo-2-fluorophenyl)-2-(2-fluorophenyl)ethanamine
SMILESNC(Cc1ccccc1F)c1ccc(Br)cc1F
InChIInChI=1S/C14H12BrF2N/c15-10-5-6-11(13(17)8-10)14(18)7-9-3-1-2-4-12(9)16/h1-6,8,14H,7,18H2
InChIKeyUYRJUZQVCCCIAN-UHFFFAOYSA-N
XLogP3.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.16
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromo-3-fluorophenyl)-1-(2,4-dibromophenyl)ethanamine
CID 107946486
1-(4-bromo-2-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114906223
2-(4-bromo-2-chlorophenyl)-1-(2-fluorophenyl)ethanamine
CID 113471264
2-amino-2-(4-bromo-2-fluorophenyl)ethanol
CID 61056024
4-bromo-2-chloro-1-[1-chloro-2-(2-fluorophenyl)ethyl]benzene
CID 63544049
2-(2-bromo-3-fluorophenyl)-1-(4-bromo-2-methylphenyl)ethanamine
CID 105020445
1-(2-bromo-5-iodophenyl)-2-(2-fluorophenyl)ethanamine
CID 114026947
2-(4-bromo-2-fluorophenyl)-1-[2-(difluoromethoxy)phenyl]ethanamine
CID 115844681
1-(4-bromo-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanamine
CID 114905993
(1S)-1-(4-bromo-2-fluorophenyl)butane-1,4-diamine
CID 171218948
2-(3-bromo-2,6-difluorophenyl)-1-(4-bromo-2-fluorophenyl)ethanamine
CID 106268783
1-(4-bromo-2-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 114906230

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-2-(2-fluorophenyl)ethanamine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-2-(2-fluorophenyl)ethanamine (CID 61078893) is 1-(4-bromo-2-fluorophenyl)-2-(2-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-2-(2-fluorophenyl)ethanamine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-2-(2-fluorophenyl)ethanamine is NC(Cc1ccccc1F)c1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-2-(2-fluorophenyl)ethanamine?
The InChIKey is UYRJUZQVCCCIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2N/c15-10-5-6-11(13(17)8-10)14(18)7-9-3-1-2-4-12(9)16/h1-6,8,14H,7,18H2.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-2-(2-fluorophenyl)ethanamine?
1-(4-bromo-2-fluorophenyl)-2-(2-fluorophenyl)ethanamine has a molecular weight of 312.16 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-2-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 61078893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).