2-(3-bromo-2,6-difluorophenyl)-1-(4-chlorophenyl)ethanamine

C14H11BrClF2N — CID 106266780

IUPAC2-(3-bromo-2,6-difluorophenyl)-1-(4-chlorophenyl)ethanamine
SMILESNC(Cc1c(F)ccc(Br)c1F)c1ccc(Cl)cc1
InChIInChI=1S/C14H11BrClF2N/c15-11-5-6-12(17)10(14(11)18)7-13(19)8-1-3-9(16)4-2-8/h1-6,13H,7,19H2
InChIKeyCFZSENMLOSKCRK-UHFFFAOYSA-N
MW346.60 g/mol
LogP4.62
Rot. Bonds3

About 2-(3-bromo-2,6-difluorophenyl)-1-(4-chlorophenyl)ethanamine

2-(3-bromo-2,6-difluorophenyl)-1-(4-chlorophenyl)ethanamine (PubChem CID 106266780) has the molecular formula C14H11BrClF2N and a molecular weight of 346.60 g/mol. Its IUPAC name is 2-(3-bromo-2,6-difluorophenyl)-1-(4-chlorophenyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-2,6-difluorophenyl)-1-(4-chlorophenyl)ethanamine
PubChem CID106266780
Molecular FormulaC14H11BrClF2N
Molecular Weight346.60 g/mol
Exact Mass344.97
IUPAC Name2-(3-bromo-2,6-difluorophenyl)-1-(4-chlorophenyl)ethanamine
SMILESNC(Cc1c(F)ccc(Br)c1F)c1ccc(Cl)cc1
InChIInChI=1S/C14H11BrClF2N/c15-11-5-6-12(17)10(14(11)18)7-13(19)8-1-3-9(16)4-2-8/h1-6,13H,7,19H2
InChIKeyCFZSENMLOSKCRK-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'}

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Related Compounds

4-[1-amino-2-(3-bromo-2,6-difluorophenyl)ethyl]-N,N-dimethylaniline
CID 106274213
2-(3-bromo-2,6-difluorophenyl)-1-(3-chloro-5-methylphenyl)ethanamine
CID 106273635
2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-5-fluorophenyl)ethanamine
CID 106267811
2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 106274038
2-(3-bromo-2,6-difluorophenyl)-1-(3-chlorothiophen-2-yl)ethanamine
CID 106274096
2-(3-bromo-2,6-difluorophenyl)-1-(4-bromo-2-fluorophenyl)ethanamine
CID 106268783
1-bromo-3-[2-(4-bromophenyl)-3-chloropropyl]-2,4-difluorobenzene
CID 106273846
(1S)-1-[4-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]propan-1-amine
CID 106262986
3-(3-bromo-2,6-difluorophenyl)-2-fluoropropan-1-amine
CID 106273471
2-(5-bromo-2-fluorophenyl)-1-(4-chlorophenyl)ethanamine
CID 62607911
2-(3-bromo-2,6-difluorophenyl)-1-(2,3-dimethylphenyl)ethanamine
CID 106273742
2-(3-bromo-2,6-difluorophenyl)-1-(5-bromo-2-iodophenyl)ethanamine
CID 106273986

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(4-chlorophenyl)ethanamine?
The IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(4-chlorophenyl)ethanamine (CID 106266780) is 2-(3-bromo-2,6-difluorophenyl)-1-(4-chlorophenyl)ethanamine.
What is the SMILES notation for 2-(3-bromo-2,6-difluorophenyl)-1-(4-chlorophenyl)ethanamine?
The canonical SMILES for 2-(3-bromo-2,6-difluorophenyl)-1-(4-chlorophenyl)ethanamine is NC(Cc1c(F)ccc(Br)c1F)c1ccc(Cl)cc1.
What is the InChIKey of 2-(3-bromo-2,6-difluorophenyl)-1-(4-chlorophenyl)ethanamine?
The InChIKey is CFZSENMLOSKCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClF2N/c15-11-5-6-12(17)10(14(11)18)7-13(19)8-1-3-9(16)4-2-8/h1-6,13H,7,19H2.
What are the key properties of 2-(3-bromo-2,6-difluorophenyl)-1-(4-chlorophenyl)ethanamine?
2-(3-bromo-2,6-difluorophenyl)-1-(4-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 2-(3-bromo-2,6-difluorophenyl)-1-(4-chlorophenyl)ethanamine is sourced from PubChem (CID 106266780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).