1-(3-bromo-2,6-difluorophenyl)-2-(2-bromophenyl)propan-2-amine

C15H13Br2F2N — CID 106265824

IUPAC1-(3-bromo-2,6-difluorophenyl)-2-(2-bromophenyl)propan-2-amine
SMILESCC(N)(Cc1c(F)ccc(Br)c1F)c1ccccc1Br
InChIInChI=1S/C15H13Br2F2N/c1-15(20,10-4-2-3-5-11(10)16)8-9-13(18)7-6-12(17)14(9)19/h2-7H,8,20H2,1H3
InChIKeyZWJBNNGKYKXQSG-UHFFFAOYSA-N
MW405.08 g/mol
LogP4.91
Rot. Bonds3

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

1-(3-bromo-2,6-difluorophenyl)-2-(2-bromophenyl)propan-2-amine (PubChem CID 106265824) has the molecular formula C15H13Br2F2N and a molecular weight of 405.08 g/mol. Its IUPAC name is 1-(3-bromo-2,6-difluorophenyl)-2-(2-bromophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-2,6-difluorophenyl)-2-(2-bromophenyl)propan-2-amine
PubChem CID106265824
Molecular FormulaC15H13Br2F2N
Molecular Weight405.08 g/mol
Exact Mass402.94
IUPAC Name1-(3-bromo-2,6-difluorophenyl)-2-(2-bromophenyl)propan-2-amine
SMILESCC(N)(Cc1c(F)ccc(Br)c1F)c1ccccc1Br
InChIInChI=1S/C15H13Br2F2N/c1-15(20,10-4-2-3-5-11(10)16)8-9-13(18)7-6-12(17)14(9)19/h2-7H,8,20H2,1H3
InChIKeyZWJBNNGKYKXQSG-UHFFFAOYSA-N
XLogP4.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.08
LogP ≤ 54.91
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)-2-(2-fluorophenyl)propan-2-ol
CID 106265089
1-(3-bromo-4-fluorophenyl)-2-(2-bromophenyl)propan-2-amine
CID 63408536
1-(3-bromo-2,6-difluorophenyl)-2-methylpentan-2-amine
CID 106273555
1,2-bis(2-bromophenyl)propan-2-amine
CID 54919156
2-(2-bromophenyl)-1-(2-chloro-3-fluorophenyl)propan-2-amine
CID 112653207
1-(2-bromophenyl)-1-(2-fluorophenyl)ethanamine
CID 62500949
2-(2-bromophenyl)-1-(3-fluorophenyl)propan-2-amine
CID 60799082
1-(2,6-difluorophenyl)-2-(2-methylphenyl)propan-2-amine
CID 114931214
1-(2-bromophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine
CID 82820253
2-(aminomethyl)-3-(3-bromo-2,6-difluorophenyl)-2-methylpropan-1-ol
CID 106272229
2-(2-bromophenyl)-1-(4-fluoro-2-methylphenyl)propan-2-amine
CID 114347080
2-(2-bromophenyl)-1-(5-bromothiophen-2-yl)propan-2-amine
CID 55096158

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-2-(2-bromophenyl)propan-2-amine?
The IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-2-(2-bromophenyl)propan-2-amine (CID 106265824) is 1-(3-bromo-2,6-difluorophenyl)-2-(2-bromophenyl)propan-2-amine.
What is the SMILES notation for 1-(3-bromo-2,6-difluorophenyl)-2-(2-bromophenyl)propan-2-amine?
The canonical SMILES for 1-(3-bromo-2,6-difluorophenyl)-2-(2-bromophenyl)propan-2-amine is CC(N)(Cc1c(F)ccc(Br)c1F)c1ccccc1Br.
What is the InChIKey of 1-(3-bromo-2,6-difluorophenyl)-2-(2-bromophenyl)propan-2-amine?
The InChIKey is ZWJBNNGKYKXQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2F2N/c1-15(20,10-4-2-3-5-11(10)16)8-9-13(18)7-6-12(17)14(9)19/h2-7H,8,20H2,1H3.
What are the key properties of 1-(3-bromo-2,6-difluorophenyl)-2-(2-bromophenyl)propan-2-amine?
1-(3-bromo-2,6-difluorophenyl)-2-(2-bromophenyl)propan-2-amine has a molecular weight of 405.08 g/mol, XLogP of 4.91, 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-(2-bromophenyl)propan-2-amine is sourced from PubChem (CID 106265824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).