[2-fluoro-6-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanamine

C12H14FN3O — CID 62128083

IUPAC[2-fluoro-6-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanamine
SMILESCn1cc(COc2cccc(F)c2CN)cn1
InChIInChI=1S/C12H14FN3O/c1-16-7-9(6-15-16)8-17-12-4-2-3-11(13)10(12)5-14/h2-4,6-7H,5,8,14H2,1H3
InChIKeyXXCMQVSKKCOPEB-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.60
Rot. Bonds4

About [2-fluoro-6-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanamine

[2-fluoro-6-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanamine (PubChem CID 62128083) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is [2-fluoro-6-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-6-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanamine
PubChem CID62128083
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name[2-fluoro-6-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanamine
SMILESCn1cc(COc2cccc(F)c2CN)cn1
InChIInChI=1S/C12H14FN3O/c1-16-7-9(6-15-16)8-17-12-4-2-3-11(13)10(12)5-14/h2-4,6-7H,5,8,14H2,1H3
InChIKeyXXCMQVSKKCOPEB-UHFFFAOYSA-N
XLogP1.60
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-6-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanamine?
The IUPAC name of [2-fluoro-6-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanamine (CID 62128083) is [2-fluoro-6-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for [2-fluoro-6-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanamine?
The canonical SMILES for [2-fluoro-6-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanamine is Cn1cc(COc2cccc(F)c2CN)cn1.
What is the InChIKey of [2-fluoro-6-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanamine?
The InChIKey is XXCMQVSKKCOPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-16-7-9(6-15-16)8-17-12-4-2-3-11(13)10(12)5-14/h2-4,6-7H,5,8,14H2,1H3.
What are the key properties of [2-fluoro-6-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanamine?
[2-fluoro-6-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanamine has a molecular weight of 235.26 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-6-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 62128083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).