[2-fluoro-4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]methanamine

C15H17FN2O2 — CID 82891533

IUPAC[2-fluoro-4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]methanamine
SMILESCOc1cc(C)nc(COc2ccc(CN)c(F)c2)c1
InChIInChI=1S/C15H17FN2O2/c1-10-5-14(19-2)6-12(18-10)9-20-13-4-3-11(8-17)15(16)7-13/h3-7H,8-9,17H2,1-2H3
InChIKeyCLUTWFPQGZRPTL-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.58
Rot. Bonds5

About [2-fluoro-4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]methanamine

[2-fluoro-4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]methanamine (PubChem CID 82891533) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is [2-fluoro-4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]methanamine
PubChem CID82891533
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name[2-fluoro-4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]methanamine
SMILESCOc1cc(C)nc(COc2ccc(CN)c(F)c2)c1
InChIInChI=1S/C15H17FN2O2/c1-10-5-14(19-2)6-12(18-10)9-20-13-4-3-11(8-17)15(16)7-13/h3-7H,8-9,17H2,1-2H3
InChIKeyCLUTWFPQGZRPTL-UHFFFAOYSA-N
XLogP2.58
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]methanamine?
The IUPAC name of [2-fluoro-4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]methanamine (CID 82891533) is [2-fluoro-4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]methanamine.
What is the SMILES notation for [2-fluoro-4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]methanamine?
The canonical SMILES for [2-fluoro-4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]methanamine is COc1cc(C)nc(COc2ccc(CN)c(F)c2)c1.
What is the InChIKey of [2-fluoro-4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]methanamine?
The InChIKey is CLUTWFPQGZRPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-10-5-14(19-2)6-12(18-10)9-20-13-4-3-11(8-17)15(16)7-13/h3-7H,8-9,17H2,1-2H3.
What are the key properties of [2-fluoro-4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]methanamine?
[2-fluoro-4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]methanamine has a molecular weight of 276.31 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]methanamine is sourced from PubChem (CID 82891533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).