[3-fluoro-4-(fluoromethoxy)phenyl]-(5-methyl-2-pyridinyl)methanamine

C14H14F2N2O — CID 90124799

IUPAC[3-fluoro-4-(fluoromethoxy)phenyl]-(5-methyl-2-pyridinyl)methanamine
SMILESCc1ccc(C(N)c2ccc(OCF)c(F)c2)nc1
InChIInChI=1S/C14H14F2N2O/c1-9-2-4-12(18-7-9)14(17)10-3-5-13(19-8-15)11(16)6-10/h2-7,14H,8,17H2,1H3
InChIKeyPSXRFNZIKZPRKZ-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.88
Rot. Bonds4

About [3-fluoro-4-(fluoromethoxy)phenyl]-(5-methyl-2-pyridinyl)methanamine

[3-fluoro-4-(fluoromethoxy)phenyl]-(5-methyl-2-pyridinyl)methanamine (PubChem CID 90124799) has the molecular formula C14H14F2N2O and a molecular weight of 264.28 g/mol. Its IUPAC name is [3-fluoro-4-(fluoromethoxy)phenyl]-(5-methyl-2-pyridinyl)methanamine.

Molecular Properties

Compound Name[3-fluoro-4-(fluoromethoxy)phenyl]-(5-methyl-2-pyridinyl)methanamine
PubChem CID90124799
Molecular FormulaC14H14F2N2O
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name[3-fluoro-4-(fluoromethoxy)phenyl]-(5-methyl-2-pyridinyl)methanamine
SMILESCc1ccc(C(N)c2ccc(OCF)c(F)c2)nc1
InChIInChI=1S/C14H14F2N2O/c1-9-2-4-12(18-7-9)14(17)10-3-5-13(19-8-15)11(16)6-10/h2-7,14H,8,17H2,1H3
InChIKeyPSXRFNZIKZPRKZ-UHFFFAOYSA-N
XLogP2.88
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(fluoromethoxy)phenyl]-(5-methyl-2-pyridinyl)methanamine?
The IUPAC name of [3-fluoro-4-(fluoromethoxy)phenyl]-(5-methyl-2-pyridinyl)methanamine (CID 90124799) is [3-fluoro-4-(fluoromethoxy)phenyl]-(5-methyl-2-pyridinyl)methanamine.
What is the SMILES notation for [3-fluoro-4-(fluoromethoxy)phenyl]-(5-methyl-2-pyridinyl)methanamine?
The canonical SMILES for [3-fluoro-4-(fluoromethoxy)phenyl]-(5-methyl-2-pyridinyl)methanamine is Cc1ccc(C(N)c2ccc(OCF)c(F)c2)nc1.
What is the InChIKey of [3-fluoro-4-(fluoromethoxy)phenyl]-(5-methyl-2-pyridinyl)methanamine?
The InChIKey is PSXRFNZIKZPRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O/c1-9-2-4-12(18-7-9)14(17)10-3-5-13(19-8-15)11(16)6-10/h2-7,14H,8,17H2,1H3.
What are the key properties of [3-fluoro-4-(fluoromethoxy)phenyl]-(5-methyl-2-pyridinyl)methanamine?
[3-fluoro-4-(fluoromethoxy)phenyl]-(5-methyl-2-pyridinyl)methanamine has a molecular weight of 264.28 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(fluoromethoxy)phenyl]-(5-methyl-2-pyridinyl)methanamine is sourced from PubChem (CID 90124799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).