bromic acid;1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine

C17H27BrClNO3 — CID 11697183

IUPACbromic acid;1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine
SMILESCC(C)CC(N(C)C)C1(c2ccc(Cl)cc2)CCC1.[O-][Br+2]([O-])O
InChIInChI=1S/C17H26ClN.BrHO3/c1-13(2)12-16(19(3)4)17(10-5-11-17)14-6-8-15(18)9-7-14;2-1(3)4/h6-9,13,16H,5,10-12H2,1-4H3;2H
InChIKeyIEBJUBLJEZTPTM-UHFFFAOYSA-N
MW408.76 g/mol
LogP1.80
Rot. Bonds5

About bromic acid;1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine

bromic acid;1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine (PubChem CID 11697183) has the molecular formula C17H27BrClNO3 and a molecular weight of 408.76 g/mol. Its IUPAC name is bromic acid;1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine.

Molecular Properties

Compound Namebromic acid;1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine
PubChem CID11697183
Molecular FormulaC17H27BrClNO3
Molecular Weight408.76 g/mol
Exact Mass407.09
IUPAC Namebromic acid;1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine
SMILESCC(C)CC(N(C)C)C1(c2ccc(Cl)cc2)CCC1.[O-][Br+2]([O-])O
InChIInChI=1S/C17H26ClN.BrHO3/c1-13(2)12-16(19(3)4)17(10-5-11-17)14-6-8-15(18)9-7-14;2-1(3)4/h6-9,13,16H,5,10-12H2,1-4H3;2H
InChIKeyIEBJUBLJEZTPTM-UHFFFAOYSA-N
XLogP1.80
TPSA69.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.76
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of bromic acid;1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine?
The IUPAC name of bromic acid;1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine (CID 11697183) is bromic acid;1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine.
What is the SMILES notation for bromic acid;1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine?
The canonical SMILES for bromic acid;1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine is CC(C)CC(N(C)C)C1(c2ccc(Cl)cc2)CCC1.[O-][Br+2]([O-])O.
What is the InChIKey of bromic acid;1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine?
The InChIKey is IEBJUBLJEZTPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN.BrHO3/c1-13(2)12-16(19(3)4)17(10-5-11-17)14-6-8-15(18)9-7-14;2-1(3)4/h6-9,13,16H,5,10-12H2,1-4H3;2H.
What are the key properties of bromic acid;1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine?
bromic acid;1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine has a molecular weight of 408.76 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bromic acid;1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine is sourced from PubChem (CID 11697183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).