1-(3-bromo-2,6-difluorophenyl)-2-(3-chlorophenyl)ethanamine

C14H11BrClF2N — CID 106942201

IUPAC1-(3-bromo-2,6-difluorophenyl)-2-(3-chlorophenyl)ethanamine
SMILESNC(Cc1cccc(Cl)c1)c1c(F)ccc(Br)c1F
InChIInChI=1S/C14H11BrClF2N/c15-10-4-5-11(17)13(14(10)18)12(19)7-8-2-1-3-9(16)6-8/h1-6,12H,7,19H2
InChIKeyGCCQXRWUENABOA-UHFFFAOYSA-N
MW346.60 g/mol
LogP4.62
Rot. Bonds3

About 1-(3-bromo-2,6-difluorophenyl)-2-(3-chlorophenyl)ethanamine

1-(3-bromo-2,6-difluorophenyl)-2-(3-chlorophenyl)ethanamine (PubChem CID 106942201) has the molecular formula C14H11BrClF2N and a molecular weight of 346.60 g/mol. Its IUPAC name is 1-(3-bromo-2,6-difluorophenyl)-2-(3-chlorophenyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-2,6-difluorophenyl)-2-(3-chlorophenyl)ethanamine
PubChem CID106942201
Molecular FormulaC14H11BrClF2N
Molecular Weight346.60 g/mol
Exact Mass344.97
IUPAC Name1-(3-bromo-2,6-difluorophenyl)-2-(3-chlorophenyl)ethanamine
SMILESNC(Cc1cccc(Cl)c1)c1c(F)ccc(Br)c1F
InChIInChI=1S/C14H11BrClF2N/c15-10-4-5-11(17)13(14(10)18)12(19)7-8-2-1-3-9(16)6-8/h1-6,12H,7,19H2
InChIKeyGCCQXRWUENABOA-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

Computed Properties (RDKit)

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

Analyze 1-(3-bromo-2,6-difluorophenyl)-2-(3-chlorophenyl)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

1-(3-bromo-5-fluorophenyl)-2-(3-chlorophenyl)ethanamine
CID 62504437
1-(3-bromo-2,6-difluorophenyl)-3-(3-chlorophenyl)propan-2-ol
CID 106266378
1-(3-chloro-2-fluorophenyl)-2-(3-chlorophenyl)ethanamine
CID 64712457
1-(2-bromo-6-fluorophenyl)-2-(3-fluorophenyl)ethanamine
CID 114559896
2-(3-chlorophenyl)-1-(2,5-difluorophenyl)ethanamine
CID 62505457
2-[(2-bromo-5-fluorophenyl)methyl]-3-(3-chlorophenyl)propan-1-amine
CID 63496159
1-(3-bromo-2,6-difluorophenyl)pentan-1-amine
CID 103947002
1-(3-bromo-2,6-difluorophenyl)-2-(3-bromophenyl)ethanol
CID 106941936
1-(3-bromo-2,6-difluorophenyl)-2-(2-methylphenyl)ethanamine
CID 106942346
1-bromo-4-[1-bromo-2-(3-chlorophenyl)ethyl]-2-fluorobenzene
CID 55225424
2-(3-chlorophenyl)-1-(3-fluoro-5-methylphenyl)ethanamine
CID 79704483
[1-(3-bromo-2,6-difluorophenyl)-2-(3-fluorophenyl)ethyl]hydrazine
CID 106945264

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-2-(3-chlorophenyl)ethanamine?
The IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-2-(3-chlorophenyl)ethanamine (CID 106942201) is 1-(3-bromo-2,6-difluorophenyl)-2-(3-chlorophenyl)ethanamine.
What is the SMILES notation for 1-(3-bromo-2,6-difluorophenyl)-2-(3-chlorophenyl)ethanamine?
The canonical SMILES for 1-(3-bromo-2,6-difluorophenyl)-2-(3-chlorophenyl)ethanamine is NC(Cc1cccc(Cl)c1)c1c(F)ccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2,6-difluorophenyl)-2-(3-chlorophenyl)ethanamine?
The InChIKey is GCCQXRWUENABOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClF2N/c15-10-4-5-11(17)13(14(10)18)12(19)7-8-2-1-3-9(16)6-8/h1-6,12H,7,19H2.
What are the key properties of 1-(3-bromo-2,6-difluorophenyl)-2-(3-chlorophenyl)ethanamine?
1-(3-bromo-2,6-difluorophenyl)-2-(3-chlorophenyl)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-(3-bromo-2,6-difluorophenyl)-2-(3-chlorophenyl)ethanamine is sourced from PubChem (CID 106942201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).