2-(2-bromo-5-fluorophenyl)-1-(3-chloro-4-fluorophenyl)ethanamine

C14H11BrClF2N — CID 63094668

IUPAC2-(2-bromo-5-fluorophenyl)-1-(3-chloro-4-fluorophenyl)ethanamine
SMILESNC(Cc1cc(F)ccc1Br)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H11BrClF2N/c15-11-3-2-10(17)5-9(11)7-14(19)8-1-4-13(18)12(16)6-8/h1-6,14H,7,19H2
InChIKeyNPQHHGPUGVXSTC-UHFFFAOYSA-N
MW346.60 g/mol
LogP4.62
Rot. Bonds3

About 2-(2-bromo-5-fluorophenyl)-1-(3-chloro-4-fluorophenyl)ethanamine

2-(2-bromo-5-fluorophenyl)-1-(3-chloro-4-fluorophenyl)ethanamine (PubChem CID 63094668) has the molecular formula C14H11BrClF2N and a molecular weight of 346.60 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-1-(3-chloro-4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-1-(3-chloro-4-fluorophenyl)ethanamine
PubChem CID63094668
Molecular FormulaC14H11BrClF2N
Molecular Weight346.60 g/mol
Exact Mass344.97
IUPAC Name2-(2-bromo-5-fluorophenyl)-1-(3-chloro-4-fluorophenyl)ethanamine
SMILESNC(Cc1cc(F)ccc1Br)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H11BrClF2N/c15-11-3-2-10(17)5-9(11)7-14(19)8-1-4-13(18)12(16)6-8/h1-6,14H,7,19H2
InChIKeyNPQHHGPUGVXSTC-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-(2-bromo-5-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanamine
CID 115843687
1-(4-bromo-3-methylphenyl)-2-(2-chloro-5-fluorophenyl)ethanamine
CID 102622572
2-(2-chloro-5-fluorophenyl)-1-(4-chlorophenyl)ethanamine
CID 102618374
2-(5-bromothiophen-2-yl)-1-(3-chloro-4-fluorophenyl)ethanamine
CID 55180820
1-(3-bromo-4-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374267
1-(4-bromo-2-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethanamine
CID 115843665
4-[1-amino-2-(2-bromo-5-fluorophenyl)ethyl]-N,N-dimethylaniline
CID 105136786
2-(2-bromo-5-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 115843812
2-(2-bromo-5-fluorophenyl)-1-pyrimidin-5-ylethanamine
CID 102923366
2-(2-bromo-5-fluorophenyl)-1-(5-bromo-2-fluorophenyl)ethanamine
CID 114894635
[1-(4-bromo-3-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethyl]hydrazine
CID 105297052
2-(2-chloro-5-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanamine
CID 102618763

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-(3-chloro-4-fluorophenyl)ethanamine?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-(3-chloro-4-fluorophenyl)ethanamine (CID 63094668) is 2-(2-bromo-5-fluorophenyl)-1-(3-chloro-4-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-1-(3-chloro-4-fluorophenyl)ethanamine?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-1-(3-chloro-4-fluorophenyl)ethanamine is NC(Cc1cc(F)ccc1Br)c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-1-(3-chloro-4-fluorophenyl)ethanamine?
The InChIKey is NPQHHGPUGVXSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClF2N/c15-11-3-2-10(17)5-9(11)7-14(19)8-1-4-13(18)12(16)6-8/h1-6,14H,7,19H2.
What are the key properties of 2-(2-bromo-5-fluorophenyl)-1-(3-chloro-4-fluorophenyl)ethanamine?
2-(2-bromo-5-fluorophenyl)-1-(3-chloro-4-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-(2-bromo-5-fluorophenyl)-1-(3-chloro-4-fluorophenyl)ethanamine is sourced from PubChem (CID 63094668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).