[3-bromo-5-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanamine

C13H16BrN3O2 — CID 60889266

IUPAC[3-bromo-5-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanamine
SMILESCOc1cc(CN)cc(Br)c1OCc1cnn(C)c1
InChIInChI=1S/C13H16BrN3O2/c1-17-7-10(6-16-17)8-19-13-11(14)3-9(5-15)4-12(13)18-2/h3-4,6-7H,5,8,15H2,1-2H3
InChIKeySWCQMVBGGAXQGA-UHFFFAOYSA-N
MW326.19 g/mol
LogP2.23
Rot. Bonds5

About [3-bromo-5-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanamine

[3-bromo-5-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanamine (PubChem CID 60889266) has the molecular formula C13H16BrN3O2 and a molecular weight of 326.19 g/mol. Its IUPAC name is [3-bromo-5-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-bromo-5-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanamine
PubChem CID60889266
Molecular FormulaC13H16BrN3O2
Molecular Weight326.19 g/mol
Exact Mass325.04
IUPAC Name[3-bromo-5-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanamine
SMILESCOc1cc(CN)cc(Br)c1OCc1cnn(C)c1
InChIInChI=1S/C13H16BrN3O2/c1-17-7-10(6-16-17)8-19-13-11(14)3-9(5-15)4-12(13)18-2/h3-4,6-7H,5,8,15H2,1-2H3
InChIKeySWCQMVBGGAXQGA-UHFFFAOYSA-N
XLogP2.23
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-bromo-5-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methanamine
CID 43622274
(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methanamine
CID 43622225
[3-bromo-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanamine
CID 61389688
[3-bromo-5-methoxy-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanamine
CID 107041278
1-[3,5-dibromo-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 107741879
[3-bromo-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-5-methoxyphenyl]methanamine
CID 60888899
[3,5-dibromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine
CID 107741586
[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 60888896
(3-bromo-5-methoxy-4-pentoxyphenyl)methanamine
CID 7139507
4-[[4-(bromomethyl)-2,6-dimethoxyphenoxy]methyl]-1-ethylpyrazole
CID 62125862
[3-bromo-4-[(2-bromo-4-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 60887919
3-[[4-(aminomethyl)-2-bromo-6-methoxyphenoxy]methyl]benzonitrile
CID 60889843

Frequently Asked Questions

What is the IUPAC name of [3-bromo-5-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanamine?
The IUPAC name of [3-bromo-5-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanamine (CID 60889266) is [3-bromo-5-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for [3-bromo-5-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanamine?
The canonical SMILES for [3-bromo-5-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanamine is COc1cc(CN)cc(Br)c1OCc1cnn(C)c1.
What is the InChIKey of [3-bromo-5-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanamine?
The InChIKey is SWCQMVBGGAXQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O2/c1-17-7-10(6-16-17)8-19-13-11(14)3-9(5-15)4-12(13)18-2/h3-4,6-7H,5,8,15H2,1-2H3.
What are the key properties of [3-bromo-5-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanamine?
[3-bromo-5-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanamine has a molecular weight of 326.19 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-5-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 60889266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).