[3-bromo-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanamine

C12H14BrN3O — CID 61389688

IUPAC[3-bromo-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanamine
SMILESCn1cc(COc2c(Br)cccc2CN)cn1
InChIInChI=1S/C12H14BrN3O/c1-16-7-9(6-15-16)8-17-12-10(5-14)3-2-4-11(12)13/h2-4,6-7H,5,8,14H2,1H3
InChIKeyQANZYMBIOZYURY-UHFFFAOYSA-N
MW296.17 g/mol
LogP2.22
Rot. Bonds4

About [3-bromo-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanamine

[3-bromo-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanamine (PubChem CID 61389688) has the molecular formula C12H14BrN3O and a molecular weight of 296.17 g/mol. Its IUPAC name is [3-bromo-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-bromo-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanamine
PubChem CID61389688
Molecular FormulaC12H14BrN3O
Molecular Weight296.17 g/mol
Exact Mass295.03
IUPAC Name[3-bromo-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanamine
SMILESCn1cc(COc2c(Br)cccc2CN)cn1
InChIInChI=1S/C12H14BrN3O/c1-16-7-9(6-15-16)8-17-12-10(5-14)3-2-4-11(12)13/h2-4,6-7H,5,8,14H2,1H3
InChIKeyQANZYMBIOZYURY-UHFFFAOYSA-N
XLogP2.22
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-bromo-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]methyl]ethanamine
CID 61390113
[3-bromo-5-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanamine
CID 60889266
(3-bromo-2-phenylmethoxyphenyl)methanamine;hydrochloride
CID 91799383
4-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]-1-methylpyrazole
CID 62126746
4-[(3-bromophenoxy)methyl]-1-methylpyrazole
CID 28782443
[2-bromo-5-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine
CID 102999884
1-[3-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]butan-2-amine
CID 115958849
1-[3-ethoxy-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-2-amine
CID 60907055
1-[3,5-dibromo-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 107741879
2-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine
CID 54930677
4-[[2-bromo-6-(chloromethyl)phenoxy]methyl]-1-methyltriazole
CID 107044094
(3-bromo-2-methoxyphenyl)methanamine;hydrochloride
CID 71755622

Frequently Asked Questions

What is the IUPAC name of [3-bromo-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanamine?
The IUPAC name of [3-bromo-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanamine (CID 61389688) is [3-bromo-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for [3-bromo-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanamine?
The canonical SMILES for [3-bromo-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanamine is Cn1cc(COc2c(Br)cccc2CN)cn1.
What is the InChIKey of [3-bromo-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanamine?
The InChIKey is QANZYMBIOZYURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O/c1-16-7-9(6-15-16)8-17-12-10(5-14)3-2-4-11(12)13/h2-4,6-7H,5,8,14H2,1H3.
What are the key properties of [3-bromo-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanamine?
[3-bromo-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanamine has a molecular weight of 296.17 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 61389688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).