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

C14H11BrCl2FN — CID 102866631

IUPAC1-(3-bromo-2-chlorophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine
SMILESNC(Cc1cccc(Cl)c1F)c1cccc(Br)c1Cl
InChIInChI=1S/C14H11BrCl2FN/c15-10-5-2-4-9(13(10)17)12(19)7-8-3-1-6-11(16)14(8)18/h1-6,12H,7,19H2
InChIKeyRQEUFPQNSOZFKO-UHFFFAOYSA-N
MW363.06 g/mol
LogP5.14
Rot. Bonds3

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

1-(3-bromo-2-chlorophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine (PubChem CID 102866631) has the molecular formula C14H11BrCl2FN and a molecular weight of 363.06 g/mol. Its IUPAC name is 1-(3-bromo-2-chlorophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-2-chlorophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine
PubChem CID102866631
Molecular FormulaC14H11BrCl2FN
Molecular Weight363.06 g/mol
Exact Mass360.94
IUPAC Name1-(3-bromo-2-chlorophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine
SMILESNC(Cc1cccc(Cl)c1F)c1cccc(Br)c1Cl
InChIInChI=1S/C14H11BrCl2FN/c15-10-5-2-4-9(13(10)17)12(19)7-8-3-1-6-11(16)14(8)18/h1-6,12H,7,19H2
InChIKeyRQEUFPQNSOZFKO-UHFFFAOYSA-N
XLogP5.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.06
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-3-fluorophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine
CID 102866438
1-(3-bromo-2-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethanamine
CID 115843513
1-(4-bromophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine
CID 102857503
1-(3-bromo-2-fluorophenyl)-2-(3-chloro-2-fluorophenyl)ethanol
CID 106645174
2-(3-chloro-2-fluorophenyl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 82806473
2-(3-chloro-2-fluorophenyl)-1-(5-chloro-2-fluorophenyl)ethanamine
CID 102858038
1-(3-chloro-2-fluorophenyl)-2-(2-fluorophenyl)ethanamine
CID 64713277
1-(2-bromo-5-methoxyphenyl)-2-(3-chloro-2-fluorophenyl)ethanamine
CID 102866744
2-(5-bromo-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanamine
CID 115839801
1-(3-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)ethanamine
CID 64713656
1-(3-bromo-2-fluorophenyl)-2-(5-chloro-2-fluorophenyl)ethanamine
CID 107953888
2-(3-chloro-2-fluorophenyl)-1-(2,3-dimethoxyphenyl)ethanamine
CID 102867085

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-chlorophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine?
The IUPAC name of 1-(3-bromo-2-chlorophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine (CID 102866631) is 1-(3-bromo-2-chlorophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(3-bromo-2-chlorophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine?
The canonical SMILES for 1-(3-bromo-2-chlorophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine is NC(Cc1cccc(Cl)c1F)c1cccc(Br)c1Cl.
What is the InChIKey of 1-(3-bromo-2-chlorophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine?
The InChIKey is RQEUFPQNSOZFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2FN/c15-10-5-2-4-9(13(10)17)12(19)7-8-3-1-6-11(16)14(8)18/h1-6,12H,7,19H2.
What are the key properties of 1-(3-bromo-2-chlorophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine?
1-(3-bromo-2-chlorophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine has a molecular weight of 363.06 g/mol, XLogP of 5.14, 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-chlorophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine is sourced from PubChem (CID 102866631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).