N-[[2-(2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]propan-2-amine

C17H21FN2O — CID 62298000

IUPACN-[[2-(2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]propan-2-amine
SMILESCc1cc(C)c(CNC(C)C)c(Oc2ccccc2F)n1
InChIInChI=1S/C17H21FN2O/c1-11(2)19-10-14-12(3)9-13(4)20-17(14)21-16-8-6-5-7-15(16)18/h5-9,11,19H,10H2,1-4H3
InChIKeyYHKZDMGZFPQQLC-UHFFFAOYSA-N
MW288.37 g/mol
LogP4.13
Rot. Bonds5

About N-[[2-(2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]propan-2-amine

N-[[2-(2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]propan-2-amine (PubChem CID 62298000) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is N-[[2-(2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]propan-2-amine
PubChem CID62298000
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC NameN-[[2-(2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]propan-2-amine
SMILESCc1cc(C)c(CNC(C)C)c(Oc2ccccc2F)n1
InChIInChI=1S/C17H21FN2O/c1-11(2)19-10-14-12(3)9-13(4)20-17(14)21-16-8-6-5-7-15(16)18/h5-9,11,19H,10H2,1-4H3
InChIKeyYHKZDMGZFPQQLC-UHFFFAOYSA-N
XLogP4.13
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]propan-2-amine (CID 62298000) is N-[[2-(2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]propan-2-amine is Cc1cc(C)c(CNC(C)C)c(Oc2ccccc2F)n1.
What is the InChIKey of N-[[2-(2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is YHKZDMGZFPQQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-11(2)19-10-14-12(3)9-13(4)20-17(14)21-16-8-6-5-7-15(16)18/h5-9,11,19H,10H2,1-4H3.
What are the key properties of N-[[2-(2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]propan-2-amine?
N-[[2-(2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 288.37 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 62298000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).