N-[1-adamantyloxy(phenoxy)phosphoryl]methanamine

C17H24NO3P — CID 11904215

IUPACN-[1-adamantyloxy(phenoxy)phosphoryl]methanamine
SMILESCN[P@@](=O)(Oc1ccccc1)OC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H24NO3P/c1-18-22(19,20-16-5-3-2-4-6-16)21-17-10-13-7-14(11-17)9-15(8-13)12-17/h2-6,13-15H,7-12H2,1H3,(H,18,19)/t13?,14?,15?,17?,22-/m1/s1
InChIKeyDBUAJLPJJLNVRX-FCXUEDCTSA-N
MW321.36 g/mol
LogP4.38
Rot. Bonds5

About N-[1-adamantyloxy(phenoxy)phosphoryl]methanamine

N-[1-adamantyloxy(phenoxy)phosphoryl]methanamine (PubChem CID 11904215) has the molecular formula C17H24NO3P and a molecular weight of 321.36 g/mol. Its IUPAC name is N-[1-adamantyloxy(phenoxy)phosphoryl]methanamine.

Molecular Properties

Compound NameN-[1-adamantyloxy(phenoxy)phosphoryl]methanamine
PubChem CID11904215
Molecular FormulaC17H24NO3P
Molecular Weight321.36 g/mol
Exact Mass321.15
IUPAC NameN-[1-adamantyloxy(phenoxy)phosphoryl]methanamine
SMILESCN[P@@](=O)(Oc1ccccc1)OC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H24NO3P/c1-18-22(19,20-16-5-3-2-4-6-16)21-17-10-13-7-14(11-17)9-15(8-13)12-17/h2-6,13-15H,7-12H2,1H3,(H,18,19)/t13?,14?,15?,17?,22-/m1/s1
InChIKeyDBUAJLPJJLNVRX-FCXUEDCTSA-N
XLogP4.38
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[1-adamantyloxy(phenoxy)phosphoryl]methanamine?
The IUPAC name of N-[1-adamantyloxy(phenoxy)phosphoryl]methanamine (CID 11904215) is N-[1-adamantyloxy(phenoxy)phosphoryl]methanamine.
What is the SMILES notation for N-[1-adamantyloxy(phenoxy)phosphoryl]methanamine?
The canonical SMILES for N-[1-adamantyloxy(phenoxy)phosphoryl]methanamine is CN[P@@](=O)(Oc1ccccc1)OC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-adamantyloxy(phenoxy)phosphoryl]methanamine?
The InChIKey is DBUAJLPJJLNVRX-FCXUEDCTSA-N. The full InChI is InChI=1S/C17H24NO3P/c1-18-22(19,20-16-5-3-2-4-6-16)21-17-10-13-7-14(11-17)9-15(8-13)12-17/h2-6,13-15H,7-12H2,1H3,(H,18,19)/t13?,14?,15?,17?,22-/m1/s1.
What are the key properties of N-[1-adamantyloxy(phenoxy)phosphoryl]methanamine?
N-[1-adamantyloxy(phenoxy)phosphoryl]methanamine has a molecular weight of 321.36 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-adamantyloxy(phenoxy)phosphoryl]methanamine is sourced from PubChem (CID 11904215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).