1-(2-bromo-4-fluorophenyl)-2-(2-chloro-6-fluorophenyl)ethanamine

C14H11BrClF2N — CID 61079951

IUPAC1-(2-bromo-4-fluorophenyl)-2-(2-chloro-6-fluorophenyl)ethanamine
SMILESNC(Cc1c(F)cccc1Cl)c1ccc(F)cc1Br
InChIInChI=1S/C14H11BrClF2N/c15-11-6-8(17)4-5-9(11)14(19)7-10-12(16)2-1-3-13(10)18/h1-6,14H,7,19H2
InChIKeyHJWSAEATCOMIIE-UHFFFAOYSA-N
MW346.60 g/mol
LogP4.62
Rot. Bonds3

About 1-(2-bromo-4-fluorophenyl)-2-(2-chloro-6-fluorophenyl)ethanamine

1-(2-bromo-4-fluorophenyl)-2-(2-chloro-6-fluorophenyl)ethanamine (PubChem CID 61079951) has the molecular formula C14H11BrClF2N and a molecular weight of 346.60 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-2-(2-chloro-6-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-2-(2-chloro-6-fluorophenyl)ethanamine
PubChem CID61079951
Molecular FormulaC14H11BrClF2N
Molecular Weight346.60 g/mol
Exact Mass344.97
IUPAC Name1-(2-bromo-4-fluorophenyl)-2-(2-chloro-6-fluorophenyl)ethanamine
SMILESNC(Cc1c(F)cccc1Cl)c1ccc(F)cc1Br
InChIInChI=1S/C14H11BrClF2N/c15-11-6-8(17)4-5-9(11)14(19)7-10-12(16)2-1-3-13(10)18/h1-6,14H,7,19H2
InChIKeyHJWSAEATCOMIIE-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-bromo-1-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]-4-fluorobenzene
CID 55225389
2-bromo-1-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-4-fluorobenzene
CID 63518826
2-(2-chloro-6-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanamine
CID 43345053
2-(4-bromo-2-chlorophenyl)-1-(2-bromo-4-fluorophenyl)ethanamine
CID 105037980
1-(4-bromo-3-chloro-2-fluorophenyl)-2-(2,6-difluorophenyl)ethanamine
CID 106764407
1,2-bis(2-bromo-4-fluorophenyl)ethanamine
CID 115843294
(1R)-1-(2-bromo-4-fluorophenyl)ethane-1,2-diamine
CID 66517956
2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethanamine
CID 43344854
1-(4-bromo-5-methylthiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine
CID 102827194
1-(2-bromo-4-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 115830230
[1-(2-bromo-4-methylphenyl)-2-(2-chloro-6-fluorophenyl)ethyl]hydrazine
CID 105289027
(1R)-1-(2-bromo-4-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171220747

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-2-(2-chloro-6-fluorophenyl)ethanamine?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-2-(2-chloro-6-fluorophenyl)ethanamine (CID 61079951) is 1-(2-bromo-4-fluorophenyl)-2-(2-chloro-6-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-2-(2-chloro-6-fluorophenyl)ethanamine?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-2-(2-chloro-6-fluorophenyl)ethanamine is NC(Cc1c(F)cccc1Cl)c1ccc(F)cc1Br.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-2-(2-chloro-6-fluorophenyl)ethanamine?
The InChIKey is HJWSAEATCOMIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClF2N/c15-11-6-8(17)4-5-9(11)14(19)7-10-12(16)2-1-3-13(10)18/h1-6,14H,7,19H2.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-2-(2-chloro-6-fluorophenyl)ethanamine?
1-(2-bromo-4-fluorophenyl)-2-(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 1-(2-bromo-4-fluorophenyl)-2-(2-chloro-6-fluorophenyl)ethanamine is sourced from PubChem (CID 61079951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).