[5-bromo-2-(2-methylpropoxy)phenyl]methyl-tert-butylazanium

C15H25BrNO+ — CID 7366809

IUPAC[5-bromo-2-(2-methylpropoxy)phenyl]methyl-tert-butylazanium
SMILESCC(C)COc1ccc(Br)cc1C[NH2+]C(C)(C)C
InChIInChI=1S/C15H24BrNO/c1-11(2)10-18-14-7-6-13(16)8-12(14)9-17-15(3,4)5/h6-8,11,17H,9-10H2,1-5H3/p+1
InChIKeyHJDFSZBWSAPAJK-UHFFFAOYSA-O
MW315.28 g/mol
LogP3.35
Rot. Bonds5

About [5-bromo-2-(2-methylpropoxy)phenyl]methyl-tert-butylazanium

[5-bromo-2-(2-methylpropoxy)phenyl]methyl-tert-butylazanium (PubChem CID 7366809) has the molecular formula C15H25BrNO+ and a molecular weight of 315.28 g/mol. Its IUPAC name is [5-bromo-2-(2-methylpropoxy)phenyl]methyl-tert-butylazanium.

Molecular Properties

Compound Name[5-bromo-2-(2-methylpropoxy)phenyl]methyl-tert-butylazanium
PubChem CID7366809
Molecular FormulaC15H25BrNO+
Molecular Weight315.28 g/mol
Exact Mass314.11
IUPAC Name[5-bromo-2-(2-methylpropoxy)phenyl]methyl-tert-butylazanium
SMILESCC(C)COc1ccc(Br)cc1C[NH2+]C(C)(C)C
InChIInChI=1S/C15H24BrNO/c1-11(2)10-18-14-7-6-13(16)8-12(14)9-17-15(3,4)5/h6-8,11,17H,9-10H2,1-5H3/p+1
InChIKeyHJDFSZBWSAPAJK-UHFFFAOYSA-O
XLogP3.35
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.28
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-2-methyl-1-(2-methylpropoxy)benzene
CID 63529292
[5-bromo-2-(2-methylpropoxy)phenyl]methyl methanesulfonate
CID 86690432
[4-bromo-2-(2-methylpropoxy)phenyl]methanamine
CID 115581634
4-bromo-1-(2-methylpropoxy)-2-(2,2,2-trifluoroethoxy)benzene
CID 155928749
1-[3-[5-bromo-2-(2-methylpropoxy)phenyl]propyl]-4-methylpiperazine
CID 170863712
2-bromo-4-tert-butyl-1-(2-methylpropoxy)benzene
CID 176513448
1-(5-bromo-2-propoxyphenyl)-N-(2-methylpropoxy)methanamine
CID 82712779
3-[4-bromo-2-(hydroxymethyl)phenoxy]-1,1,1-trifluoropropan-2-ol
CID 63899244
1-[[5-bromo-2-(2-methylpropoxy)phenyl]methyl]indazole
CID 137397184
3-[4-bromo-2-[(tert-butylamino)methyl]phenoxy]-2-methylpropanamide
CID 63058356
4-bromo-2-[(5-bromo-2-methoxyphenyl)methyl]-1-[(2S)-2-methylbutoxy]benzene
CID 139605000
2-(bromomethyl)-4-chloro-1-(2-methylpropoxy)benzene
CID 43142000

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(2-methylpropoxy)phenyl]methyl-tert-butylazanium?
The IUPAC name of [5-bromo-2-(2-methylpropoxy)phenyl]methyl-tert-butylazanium (CID 7366809) is [5-bromo-2-(2-methylpropoxy)phenyl]methyl-tert-butylazanium.
What is the SMILES notation for [5-bromo-2-(2-methylpropoxy)phenyl]methyl-tert-butylazanium?
The canonical SMILES for [5-bromo-2-(2-methylpropoxy)phenyl]methyl-tert-butylazanium is CC(C)COc1ccc(Br)cc1C[NH2+]C(C)(C)C.
What is the InChIKey of [5-bromo-2-(2-methylpropoxy)phenyl]methyl-tert-butylazanium?
The InChIKey is HJDFSZBWSAPAJK-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H24BrNO/c1-11(2)10-18-14-7-6-13(16)8-12(14)9-17-15(3,4)5/h6-8,11,17H,9-10H2,1-5H3/p+1.
What are the key properties of [5-bromo-2-(2-methylpropoxy)phenyl]methyl-tert-butylazanium?
[5-bromo-2-(2-methylpropoxy)phenyl]methyl-tert-butylazanium has a molecular weight of 315.28 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(2-methylpropoxy)phenyl]methyl-tert-butylazanium is sourced from PubChem (CID 7366809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).