N-[(2-bromo-6-fluorophenyl)-(2,5-dibromophenyl)methyl]propan-1-amine

C16H15Br3FN — CID 114558957

IUPACN-[(2-bromo-6-fluorophenyl)-(2,5-dibromophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(Br)ccc1Br)c1c(F)cccc1Br
InChIInChI=1S/C16H15Br3FN/c1-2-8-21-16(11-9-10(17)6-7-12(11)18)15-13(19)4-3-5-14(15)20/h3-7,9,16,21H,2,8H2,1H3
InChIKeyUHNMCYNXQGRUSJ-UHFFFAOYSA-N
MW480.01 g/mol
LogP6.20
Rot. Bonds5

About N-[(2-bromo-6-fluorophenyl)-(2,5-dibromophenyl)methyl]propan-1-amine

N-[(2-bromo-6-fluorophenyl)-(2,5-dibromophenyl)methyl]propan-1-amine (PubChem CID 114558957) has the molecular formula C16H15Br3FN and a molecular weight of 480.01 g/mol. Its IUPAC name is N-[(2-bromo-6-fluorophenyl)-(2,5-dibromophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-bromo-6-fluorophenyl)-(2,5-dibromophenyl)methyl]propan-1-amine
PubChem CID114558957
Molecular FormulaC16H15Br3FN
Molecular Weight480.01 g/mol
Exact Mass476.87
IUPAC NameN-[(2-bromo-6-fluorophenyl)-(2,5-dibromophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(Br)ccc1Br)c1c(F)cccc1Br
InChIInChI=1S/C16H15Br3FN/c1-2-8-21-16(11-9-10(17)6-7-12(11)18)15-13(19)4-3-5-14(15)20/h3-7,9,16,21H,2,8H2,1H3
InChIKeyUHNMCYNXQGRUSJ-UHFFFAOYSA-N
XLogP6.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.01
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chloro-3-fluorophenyl)-(2,5-dibromophenyl)methyl]propan-1-amine
CID 81454710
N-[(2-bromo-6-fluorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 114887409
N-[(2-bromo-6-fluorophenyl)-(3-bromo-2-fluorophenyl)methyl]propan-1-amine
CID 106646205
N-[(2-bromo-6-fluorophenyl)-(2,3-difluorophenyl)methyl]propan-1-amine
CID 114887381
N-[(2,5-dibromophenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 43495338
N-[(2-bromo-6-fluorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 114558967
N-[(2-bromo-6-fluorophenyl)-(2-chloro-5-fluorophenyl)methyl]propan-1-amine
CID 105395585
N-[(2-bromo-5-fluorophenyl)-(2,5-dibromophenyl)methyl]propan-1-amine
CID 43495349
N-[(4-bromo-3-fluorophenyl)-(2,5-dibromophenyl)methyl]propan-1-amine
CID 63503524
N-[(2-bromo-6-fluorophenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 114558952
N-[(2,5-dibromophenyl)-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 63502138
N-[(2-bromo-6-fluorophenyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 114887388

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-6-fluorophenyl)-(2,5-dibromophenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-bromo-6-fluorophenyl)-(2,5-dibromophenyl)methyl]propan-1-amine (CID 114558957) is N-[(2-bromo-6-fluorophenyl)-(2,5-dibromophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-bromo-6-fluorophenyl)-(2,5-dibromophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-bromo-6-fluorophenyl)-(2,5-dibromophenyl)methyl]propan-1-amine is CCCNC(c1cc(Br)ccc1Br)c1c(F)cccc1Br.
What is the InChIKey of N-[(2-bromo-6-fluorophenyl)-(2,5-dibromophenyl)methyl]propan-1-amine?
The InChIKey is UHNMCYNXQGRUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br3FN/c1-2-8-21-16(11-9-10(17)6-7-12(11)18)15-13(19)4-3-5-14(15)20/h3-7,9,16,21H,2,8H2,1H3.
What are the key properties of N-[(2-bromo-6-fluorophenyl)-(2,5-dibromophenyl)methyl]propan-1-amine?
N-[(2-bromo-6-fluorophenyl)-(2,5-dibromophenyl)methyl]propan-1-amine has a molecular weight of 480.01 g/mol, XLogP of 6.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-6-fluorophenyl)-(2,5-dibromophenyl)methyl]propan-1-amine is sourced from PubChem (CID 114558957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).