2-(4-bromo-2-chloro-3,5,6-trifluorophenyl)ethanamine

C8H6BrClF3N — CID 117110898

IUPAC2-(4-bromo-2-chloro-3,5,6-trifluorophenyl)ethanamine
SMILESNCCc1c(F)c(F)c(Br)c(F)c1Cl
InChIInChI=1S/C8H6BrClF3N/c9-4-7(12)5(10)3(1-2-14)6(11)8(4)13/h1-2,14H2
InChIKeyWOBMTLRWFWBGGT-UHFFFAOYSA-N
MW288.49 g/mol
LogP3.02
Rot. Bonds2

About 2-(4-bromo-2-chloro-3,5,6-trifluorophenyl)ethanamine

2-(4-bromo-2-chloro-3,5,6-trifluorophenyl)ethanamine (PubChem CID 117110898) has the molecular formula C8H6BrClF3N and a molecular weight of 288.49 g/mol. Its IUPAC name is 2-(4-bromo-2-chloro-3,5,6-trifluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-chloro-3,5,6-trifluorophenyl)ethanamine
PubChem CID117110898
Molecular FormulaC8H6BrClF3N
Molecular Weight288.49 g/mol
Exact Mass286.93
IUPAC Name2-(4-bromo-2-chloro-3,5,6-trifluorophenyl)ethanamine
SMILESNCCc1c(F)c(F)c(Br)c(F)c1Cl
InChIInChI=1S/C8H6BrClF3N/c9-4-7(12)5(10)3(1-2-14)6(11)8(4)13/h1-2,14H2
InChIKeyWOBMTLRWFWBGGT-UHFFFAOYSA-N
XLogP3.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.49
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-(4-bromo-2-chloro-3,5,6-trifluorophenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-bromo-2-chloro-3,5,6-trifluorophenyl)propanoic acid
CID 117114914
3-(4-chloro-2,3,5,6-tetrafluorophenyl)propan-1-amine
CID 115113372
(2,4-dichloro-3,5,6-trifluorophenyl)methanamine
CID 119000719
2-(3-chloro-2,5,6-trifluorophenyl)ethanamine
CID 117299579
3-(4-bromo-2,3,5,6-tetrafluorophenyl)propanal
CID 117117807
3-(4-bromo-2,3,5,6-tetrafluorophenyl)propan-1-ol
CID 117117683
2-(6-chloro-2-fluoro-3-methylphenyl)ethanamine
CID 53403713
1-bromo-2,4-dichloro-3,5,6-trifluorobenzene
CID 118836073
3-(2-aminoethyl)-5-bromo-4-fluorobenzene-1,2-diol
CID 117378174
2-(2-aminoethyl)-4-bromo-3,6-difluorophenol
CID 117383018
2-(2-aminoethyl)-6-chloro-3,4-difluorophenol
CID 83883525
CID 87457293
CID 87457293

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chloro-3,5,6-trifluorophenyl)ethanamine?
The IUPAC name of 2-(4-bromo-2-chloro-3,5,6-trifluorophenyl)ethanamine (CID 117110898) is 2-(4-bromo-2-chloro-3,5,6-trifluorophenyl)ethanamine.
What is the SMILES notation for 2-(4-bromo-2-chloro-3,5,6-trifluorophenyl)ethanamine?
The canonical SMILES for 2-(4-bromo-2-chloro-3,5,6-trifluorophenyl)ethanamine is NCCc1c(F)c(F)c(Br)c(F)c1Cl.
What is the InChIKey of 2-(4-bromo-2-chloro-3,5,6-trifluorophenyl)ethanamine?
The InChIKey is WOBMTLRWFWBGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClF3N/c9-4-7(12)5(10)3(1-2-14)6(11)8(4)13/h1-2,14H2.
What are the key properties of 2-(4-bromo-2-chloro-3,5,6-trifluorophenyl)ethanamine?
2-(4-bromo-2-chloro-3,5,6-trifluorophenyl)ethanamine has a molecular weight of 288.49 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chloro-3,5,6-trifluorophenyl)ethanamine is sourced from PubChem (CID 117110898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).