N-[di(propan-2-yloxy)phosphoryl-(4-fluorophenyl)methyl]pyridin-2-amine

C18H24FN2O3P — CID 4221532

IUPACN-[di(propan-2-yloxy)phosphoryl-(4-fluorophenyl)methyl]pyridin-2-amine
SMILESCC(C)OP(=O)(OC(C)C)C(Nc1ccccn1)c1ccc(F)cc1
InChIInChI=1S/C18H24FN2O3P/c1-13(2)23-25(22,24-14(3)4)18(15-8-10-16(19)11-9-15)21-17-7-5-6-12-20-17/h5-14,18H,1-4H3,(H,20,21)
InChIKeyBXZWUECLOYRKJW-UHFFFAOYSA-N
MW366.37 g/mol
LogP5.37
Rot. Bonds8

About N-[di(propan-2-yloxy)phosphoryl-(4-fluorophenyl)methyl]pyridin-2-amine

N-[di(propan-2-yloxy)phosphoryl-(4-fluorophenyl)methyl]pyridin-2-amine (PubChem CID 4221532) has the molecular formula C18H24FN2O3P and a molecular weight of 366.37 g/mol. Its IUPAC name is N-[di(propan-2-yloxy)phosphoryl-(4-fluorophenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[di(propan-2-yloxy)phosphoryl-(4-fluorophenyl)methyl]pyridin-2-amine
PubChem CID4221532
Molecular FormulaC18H24FN2O3P
Molecular Weight366.37 g/mol
Exact Mass366.15
IUPAC NameN-[di(propan-2-yloxy)phosphoryl-(4-fluorophenyl)methyl]pyridin-2-amine
SMILESCC(C)OP(=O)(OC(C)C)C(Nc1ccccn1)c1ccc(F)cc1
InChIInChI=1S/C18H24FN2O3P/c1-13(2)23-25(22,24-14(3)4)18(15-8-10-16(19)11-9-15)21-17-7-5-6-12-20-17/h5-14,18H,1-4H3,(H,20,21)
InChIKeyBXZWUECLOYRKJW-UHFFFAOYSA-N
XLogP5.37
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.37
LogP ≤ 55.37
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-(4-fluorophenyl)methyl]pyridin-2-amine?
The IUPAC name of N-[di(propan-2-yloxy)phosphoryl-(4-fluorophenyl)methyl]pyridin-2-amine (CID 4221532) is N-[di(propan-2-yloxy)phosphoryl-(4-fluorophenyl)methyl]pyridin-2-amine.
What is the SMILES notation for N-[di(propan-2-yloxy)phosphoryl-(4-fluorophenyl)methyl]pyridin-2-amine?
The canonical SMILES for N-[di(propan-2-yloxy)phosphoryl-(4-fluorophenyl)methyl]pyridin-2-amine is CC(C)OP(=O)(OC(C)C)C(Nc1ccccn1)c1ccc(F)cc1.
What is the InChIKey of N-[di(propan-2-yloxy)phosphoryl-(4-fluorophenyl)methyl]pyridin-2-amine?
The InChIKey is BXZWUECLOYRKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN2O3P/c1-13(2)23-25(22,24-14(3)4)18(15-8-10-16(19)11-9-15)21-17-7-5-6-12-20-17/h5-14,18H,1-4H3,(H,20,21).
What are the key properties of N-[di(propan-2-yloxy)phosphoryl-(4-fluorophenyl)methyl]pyridin-2-amine?
N-[di(propan-2-yloxy)phosphoryl-(4-fluorophenyl)methyl]pyridin-2-amine has a molecular weight of 366.37 g/mol, XLogP of 5.37, 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-(4-fluorophenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 4221532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).