N-(2,4,6-tribromophenyl)oxepan-4-amine

C12H14Br3NO — CID 65076459

IUPACN-(2,4,6-tribromophenyl)oxepan-4-amine
SMILESBrc1cc(Br)c(NC2CCCOCC2)c(Br)c1
InChIInChI=1S/C12H14Br3NO/c13-8-6-10(14)12(11(15)7-8)16-9-2-1-4-17-5-3-9/h6-7,9,16H,1-5H2
InChIKeyFLAZQSKSQHKTAE-UHFFFAOYSA-N
MW427.96 g/mol
LogP4.96
Rot. Bonds2

About N-(2,4,6-tribromophenyl)oxepan-4-amine

N-(2,4,6-tribromophenyl)oxepan-4-amine (PubChem CID 65076459) has the molecular formula C12H14Br3NO and a molecular weight of 427.96 g/mol. Its IUPAC name is N-(2,4,6-tribromophenyl)oxepan-4-amine.

Molecular Properties

Compound NameN-(2,4,6-tribromophenyl)oxepan-4-amine
PubChem CID65076459
Molecular FormulaC12H14Br3NO
Molecular Weight427.96 g/mol
Exact Mass424.86
IUPAC NameN-(2,4,6-tribromophenyl)oxepan-4-amine
SMILESBrc1cc(Br)c(NC2CCCOCC2)c(Br)c1
InChIInChI=1S/C12H14Br3NO/c13-8-6-10(14)12(11(15)7-8)16-9-2-1-4-17-5-3-9/h6-7,9,16H,1-5H2
InChIKeyFLAZQSKSQHKTAE-UHFFFAOYSA-N
XLogP4.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.96
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4,6-tribromophenyl)oxetan-3-amine
CID 63623094
N-(3,5-dimethylphenyl)oxepan-4-amine
CID 65076882
N-(2,3,5,6-tetrafluorophenyl)oxepan-4-amine
CID 107644116
N-(4-bromo-3,5-dimethylphenyl)oxepan-4-amine
CID 103582092
N-(5-bromo-2-chlorophenyl)oxepan-4-amine
CID 65079704
N-(2-bromo-5-chloro-4-methylphenyl)oxepan-4-amine
CID 113445409
N-[4-bromo-3-(trifluoromethyl)phenyl]oxepan-4-amine
CID 65081576
N-(5-bromo-4-fluoro-2-methylphenyl)oxepan-4-amine
CID 103271856
N-(2,6-difluorophenyl)oxepan-4-amine
CID 65077164
N-(3-bromo-4-nitrophenyl)oxepan-4-amine
CID 82865027
6-bromo-N-(oxepan-4-yl)pyridin-3-amine
CID 104718841
N-(2,5-difluorophenyl)oxepan-4-amine
CID 65076714

Frequently Asked Questions

What is the IUPAC name of N-(2,4,6-tribromophenyl)oxepan-4-amine?
The IUPAC name of N-(2,4,6-tribromophenyl)oxepan-4-amine (CID 65076459) is N-(2,4,6-tribromophenyl)oxepan-4-amine.
What is the SMILES notation for N-(2,4,6-tribromophenyl)oxepan-4-amine?
The canonical SMILES for N-(2,4,6-tribromophenyl)oxepan-4-amine is Brc1cc(Br)c(NC2CCCOCC2)c(Br)c1.
What is the InChIKey of N-(2,4,6-tribromophenyl)oxepan-4-amine?
The InChIKey is FLAZQSKSQHKTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br3NO/c13-8-6-10(14)12(11(15)7-8)16-9-2-1-4-17-5-3-9/h6-7,9,16H,1-5H2.
What are the key properties of N-(2,4,6-tribromophenyl)oxepan-4-amine?
N-(2,4,6-tribromophenyl)oxepan-4-amine has a molecular weight of 427.96 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,6-tribromophenyl)oxepan-4-amine is sourced from PubChem (CID 65076459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).