2-(2,4-dibromophenyl)azepane

C12H15Br2N — CID 107938538

IUPAC2-(2,4-dibromophenyl)azepane
SMILESBrc1ccc(C2CCCCCN2)c(Br)c1
InChIInChI=1S/C12H15Br2N/c13-9-5-6-10(11(14)8-9)12-4-2-1-3-7-15-12/h5-6,8,12,15H,1-4,7H2
InChIKeyWTNTYKWQQSYFKC-UHFFFAOYSA-N
MW333.07 g/mol
LogP4.42
Rot. Bonds1

About 2-(2,4-dibromophenyl)azepane

2-(2,4-dibromophenyl)azepane (PubChem CID 107938538) has the molecular formula C12H15Br2N and a molecular weight of 333.07 g/mol. Its IUPAC name is 2-(2,4-dibromophenyl)azepane.

Molecular Properties

Compound Name2-(2,4-dibromophenyl)azepane
PubChem CID107938538
Molecular FormulaC12H15Br2N
Molecular Weight333.07 g/mol
Exact Mass330.96
IUPAC Name2-(2,4-dibromophenyl)azepane
SMILESBrc1ccc(C2CCCCCN2)c(Br)c1
InChIInChI=1S/C12H15Br2N/c13-9-5-6-10(11(14)8-9)12-4-2-1-3-7-15-12/h5-6,8,12,15H,1-4,7H2
InChIKeyWTNTYKWQQSYFKC-UHFFFAOYSA-N
XLogP4.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.07
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-(2,4-dibromophenyl)pyrrolidine
CID 130706941
2-(2-bromo-4-methoxyphenyl)piperidine
CID 82625568
(2R)-2-(2,5-dibromophenyl)pyrrolidine
CID 131190573
4-bromo-2-piperidin-2-ylphenol
CID 82623427
(2R)-2-(5-bromo-2-chlorophenyl)piperidine
CID 130632446
2-[4-bromo-2-(methoxymethyl)phenyl]piperidine
CID 117457372
(2S)-2-(2-bromo-4-chlorophenyl)pyrrolidine;hydrochloride
CID 171196306
(2R)-2-(4-bromo-2-chlorophenyl)pyrrolidine;hydrochloride
CID 171195907
2-(3-bromo-2-fluorophenyl)azepane
CID 106646528
2-(3-bromo-4-cyclohexylphenyl)pyrrolidine
CID 117493208
(2S)-2-(4-bromophenyl)piperidine
CID 7022866
(2R)-2-(5-bromo-2-ethoxyphenyl)piperidine
CID 42579904

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromophenyl)azepane?
The IUPAC name of 2-(2,4-dibromophenyl)azepane (CID 107938538) is 2-(2,4-dibromophenyl)azepane.
What is the SMILES notation for 2-(2,4-dibromophenyl)azepane?
The canonical SMILES for 2-(2,4-dibromophenyl)azepane is Brc1ccc(C2CCCCCN2)c(Br)c1.
What is the InChIKey of 2-(2,4-dibromophenyl)azepane?
The InChIKey is WTNTYKWQQSYFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2N/c13-9-5-6-10(11(14)8-9)12-4-2-1-3-7-15-12/h5-6,8,12,15H,1-4,7H2.
What are the key properties of 2-(2,4-dibromophenyl)azepane?
2-(2,4-dibromophenyl)azepane has a molecular weight of 333.07 g/mol, XLogP of 4.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromophenyl)azepane is sourced from PubChem (CID 107938538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).