[3-bromo-5-methoxy-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanamine

C11H14BrN5O2 — CID 107041278

IUPAC[3-bromo-5-methoxy-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanamine
SMILESCOc1cc(CN)cc(Br)c1OCc1nnn(C)n1
InChIInChI=1S/C11H14BrN5O2/c1-17-15-10(14-16-17)6-19-11-8(12)3-7(5-13)4-9(11)18-2/h3-4H,5-6,13H2,1-2H3
InChIKeyVVQIPIQWHJCADG-UHFFFAOYSA-N
MW328.17 g/mol
LogP1.02
Rot. Bonds5

About [3-bromo-5-methoxy-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanamine

[3-bromo-5-methoxy-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanamine (PubChem CID 107041278) has the molecular formula C11H14BrN5O2 and a molecular weight of 328.17 g/mol. Its IUPAC name is [3-bromo-5-methoxy-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-bromo-5-methoxy-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanamine
PubChem CID107041278
Molecular FormulaC11H14BrN5O2
Molecular Weight328.17 g/mol
Exact Mass327.03
IUPAC Name[3-bromo-5-methoxy-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanamine
SMILESCOc1cc(CN)cc(Br)c1OCc1nnn(C)n1
InChIInChI=1S/C11H14BrN5O2/c1-17-15-10(14-16-17)6-19-11-8(12)3-7(5-13)4-9(11)18-2/h3-4H,5-6,13H2,1-2H3
InChIKeyVVQIPIQWHJCADG-UHFFFAOYSA-N
XLogP1.02
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[[2-bromo-4-(bromomethyl)-6-methoxyphenoxy]methyl]-2-methyltetrazole
CID 107044085
[3,5-dimethoxy-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanol
CID 107043819
[3-bromo-5-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanamine
CID 60889266
5-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]-2-methyltetrazole
CID 107044049
[3-bromo-5-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methanamine
CID 43622274
(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methanamine
CID 43622225
[3-bromo-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-5-methoxyphenyl]methanamine
CID 60888899
[3-bromo-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methoxyphenyl]methanamine
CID 61497302
3-bromo-5-fluoro-2-[(2-methyltetrazol-5-yl)methoxy]aniline
CID 107040854
[3-bromo-5-methoxy-4-(2-phenylethoxy)phenyl]methanamine
CID 43622210
[3-bromo-4-(3-imidazol-1-ylpropoxy)-5-methoxyphenyl]methanamine
CID 61494999
[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 60888896

Frequently Asked Questions

What is the IUPAC name of [3-bromo-5-methoxy-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanamine?
The IUPAC name of [3-bromo-5-methoxy-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanamine (CID 107041278) is [3-bromo-5-methoxy-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for [3-bromo-5-methoxy-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanamine?
The canonical SMILES for [3-bromo-5-methoxy-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanamine is COc1cc(CN)cc(Br)c1OCc1nnn(C)n1.
What is the InChIKey of [3-bromo-5-methoxy-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanamine?
The InChIKey is VVQIPIQWHJCADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN5O2/c1-17-15-10(14-16-17)6-19-11-8(12)3-7(5-13)4-9(11)18-2/h3-4H,5-6,13H2,1-2H3.
What are the key properties of [3-bromo-5-methoxy-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanamine?
[3-bromo-5-methoxy-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanamine has a molecular weight of 328.17 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-5-methoxy-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 107041278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).