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

C14H11Br2F2N — CID 106941571

IUPAC1-(3-bromo-2,6-difluorophenyl)-1-(3-bromophenyl)ethanamine
SMILESCC(N)(c1cccc(Br)c1)c1c(F)ccc(Br)c1F
InChIInChI=1S/C14H11Br2F2N/c1-14(19,8-3-2-4-9(15)7-8)12-11(17)6-5-10(16)13(12)18/h2-7H,19H2,1H3
InChIKeyRAQIXFOOLOXNNQ-UHFFFAOYSA-N
MW391.05 g/mol
LogP4.71
Rot. Bonds2

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

1-(3-bromo-2,6-difluorophenyl)-1-(3-bromophenyl)ethanamine (PubChem CID 106941571) has the molecular formula C14H11Br2F2N and a molecular weight of 391.05 g/mol. Its IUPAC name is 1-(3-bromo-2,6-difluorophenyl)-1-(3-bromophenyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-2,6-difluorophenyl)-1-(3-bromophenyl)ethanamine
PubChem CID106941571
Molecular FormulaC14H11Br2F2N
Molecular Weight391.05 g/mol
Exact Mass388.92
IUPAC Name1-(3-bromo-2,6-difluorophenyl)-1-(3-bromophenyl)ethanamine
SMILESCC(N)(c1cccc(Br)c1)c1c(F)ccc(Br)c1F
InChIInChI=1S/C14H11Br2F2N/c1-14(19,8-3-2-4-9(15)7-8)12-11(17)6-5-10(16)13(12)18/h2-7H,19H2,1H3
InChIKeyRAQIXFOOLOXNNQ-UHFFFAOYSA-N
XLogP4.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.05
LogP ≤ 54.71
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

1-(3-bromo-2,6-difluorophenyl)-1-(3-fluorophenyl)ethanamine
CID 106941565
1-(3-bromophenyl)-1-(4-fluorophenyl)ethanamine
CID 54919280
1-(3-chlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine
CID 82819938
1-(5-bromo-2-fluorophenyl)-2-(3-bromophenyl)propan-2-amine
CID 63408364
1-(3-bromo-2,6-difluorophenyl)-1-(3-fluorophenyl)propan-1-amine
CID 106941629
1-(3-bromo-2,6-difluorophenyl)-1-(3-chlorophenyl)ethanol
CID 106941192
1-(4-bromophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine
CID 82820097
1-(3-bromophenyl)-1-(4-bromothiophen-3-yl)ethanamine
CID 79595826
(2S)-2-amino-2-(3-bromophenyl)propan-1-ol
CID 66931490
1-(2-bromophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine
CID 82820253
2-(3-bromo-2,6-difluorophenyl)-2-fluoro-2-phenylethanamine
CID 106943960
2-(3-bromo-2,6-difluorophenyl)-3-methylpentan-2-amine
CID 106941583

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-1-(3-bromophenyl)ethanamine?
The IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-1-(3-bromophenyl)ethanamine (CID 106941571) is 1-(3-bromo-2,6-difluorophenyl)-1-(3-bromophenyl)ethanamine.
What is the SMILES notation for 1-(3-bromo-2,6-difluorophenyl)-1-(3-bromophenyl)ethanamine?
The canonical SMILES for 1-(3-bromo-2,6-difluorophenyl)-1-(3-bromophenyl)ethanamine is CC(N)(c1cccc(Br)c1)c1c(F)ccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2,6-difluorophenyl)-1-(3-bromophenyl)ethanamine?
The InChIKey is RAQIXFOOLOXNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2F2N/c1-14(19,8-3-2-4-9(15)7-8)12-11(17)6-5-10(16)13(12)18/h2-7H,19H2,1H3.
What are the key properties of 1-(3-bromo-2,6-difluorophenyl)-1-(3-bromophenyl)ethanamine?
1-(3-bromo-2,6-difluorophenyl)-1-(3-bromophenyl)ethanamine has a molecular weight of 391.05 g/mol, XLogP of 4.71, 2 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)-1-(3-bromophenyl)ethanamine is sourced from PubChem (CID 106941571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).