N-[di(propan-2-yloxy)phosphoryl-(2-fluorophenyl)methyl]-6-methylpyridin-2-amine

C19H26FN2O3P — CID 21210836

IUPACN-[di(propan-2-yloxy)phosphoryl-(2-fluorophenyl)methyl]-6-methylpyridin-2-amine
SMILESCc1cccc(NC(c2ccccc2F)P(=O)(OC(C)C)OC(C)C)n1
InChIInChI=1S/C19H26FN2O3P/c1-13(2)24-26(23,25-14(3)4)19(16-10-6-7-11-17(16)20)22-18-12-8-9-15(5)21-18/h6-14,19H,1-5H3,(H,21,22)
InChIKeyQNKIXHNJDKGUSL-UHFFFAOYSA-N
MW380.40 g/mol
LogP5.68
Rot. Bonds8

About N-[di(propan-2-yloxy)phosphoryl-(2-fluorophenyl)methyl]-6-methylpyridin-2-amine

N-[di(propan-2-yloxy)phosphoryl-(2-fluorophenyl)methyl]-6-methylpyridin-2-amine (PubChem CID 21210836) has the molecular formula C19H26FN2O3P and a molecular weight of 380.40 g/mol. Its IUPAC name is N-[di(propan-2-yloxy)phosphoryl-(2-fluorophenyl)methyl]-6-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[di(propan-2-yloxy)phosphoryl-(2-fluorophenyl)methyl]-6-methylpyridin-2-amine
PubChem CID21210836
Molecular FormulaC19H26FN2O3P
Molecular Weight380.40 g/mol
Exact Mass380.17
IUPAC NameN-[di(propan-2-yloxy)phosphoryl-(2-fluorophenyl)methyl]-6-methylpyridin-2-amine
SMILESCc1cccc(NC(c2ccccc2F)P(=O)(OC(C)C)OC(C)C)n1
InChIInChI=1S/C19H26FN2O3P/c1-13(2)24-26(23,25-14(3)4)19(16-10-6-7-11-17(16)20)22-18-12-8-9-15(5)21-18/h6-14,19H,1-5H3,(H,21,22)
InChIKeyQNKIXHNJDKGUSL-UHFFFAOYSA-N
XLogP5.68
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.40
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[di(propan-2-yloxy)phosphoryl-(2-fluorophenyl)methyl]-6-methylpyridin-2-amine?
The IUPAC name of N-[di(propan-2-yloxy)phosphoryl-(2-fluorophenyl)methyl]-6-methylpyridin-2-amine (CID 21210836) is N-[di(propan-2-yloxy)phosphoryl-(2-fluorophenyl)methyl]-6-methylpyridin-2-amine.
What is the SMILES notation for N-[di(propan-2-yloxy)phosphoryl-(2-fluorophenyl)methyl]-6-methylpyridin-2-amine?
The canonical SMILES for N-[di(propan-2-yloxy)phosphoryl-(2-fluorophenyl)methyl]-6-methylpyridin-2-amine is Cc1cccc(NC(c2ccccc2F)P(=O)(OC(C)C)OC(C)C)n1.
What is the InChIKey of N-[di(propan-2-yloxy)phosphoryl-(2-fluorophenyl)methyl]-6-methylpyridin-2-amine?
The InChIKey is QNKIXHNJDKGUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN2O3P/c1-13(2)24-26(23,25-14(3)4)19(16-10-6-7-11-17(16)20)22-18-12-8-9-15(5)21-18/h6-14,19H,1-5H3,(H,21,22).
What are the key properties of N-[di(propan-2-yloxy)phosphoryl-(2-fluorophenyl)methyl]-6-methylpyridin-2-amine?
N-[di(propan-2-yloxy)phosphoryl-(2-fluorophenyl)methyl]-6-methylpyridin-2-amine has a molecular weight of 380.40 g/mol, XLogP of 5.68, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[di(propan-2-yloxy)phosphoryl-(2-fluorophenyl)methyl]-6-methylpyridin-2-amine is sourced from PubChem (CID 21210836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).