3-[amino(phenoxy)phosphoryl]oxypropylbenzene

C15H18NO3P — CID 24761685

IUPAC3-[amino(phenoxy)phosphoryl]oxypropylbenzene
SMILESNP(=O)(OCCCc1ccccc1)Oc1ccccc1
InChIInChI=1S/C15H18NO3P/c16-20(17,19-15-11-5-2-6-12-15)18-13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-12H,7,10,13H2,(H2,16,17)
InChIKeyYKOGPAMCFYAQDG-UHFFFAOYSA-N
MW291.29 g/mol
LogP3.78
Rot. Bonds7

About 3-[amino(phenoxy)phosphoryl]oxypropylbenzene

3-[amino(phenoxy)phosphoryl]oxypropylbenzene (PubChem CID 24761685) has the molecular formula C15H18NO3P and a molecular weight of 291.29 g/mol. Its IUPAC name is 3-[amino(phenoxy)phosphoryl]oxypropylbenzene.

Molecular Properties

Compound Name3-[amino(phenoxy)phosphoryl]oxypropylbenzene
PubChem CID24761685
Molecular FormulaC15H18NO3P
Molecular Weight291.29 g/mol
Exact Mass291.10
IUPAC Name3-[amino(phenoxy)phosphoryl]oxypropylbenzene
SMILESNP(=O)(OCCCc1ccccc1)Oc1ccccc1
InChIInChI=1S/C15H18NO3P/c16-20(17,19-15-11-5-2-6-12-15)18-13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-12H,7,10,13H2,(H2,16,17)
InChIKeyYKOGPAMCFYAQDG-UHFFFAOYSA-N
XLogP3.78
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[amino(phenoxy)phosphoryl]oxypropylbenzene?
The IUPAC name of 3-[amino(phenoxy)phosphoryl]oxypropylbenzene (CID 24761685) is 3-[amino(phenoxy)phosphoryl]oxypropylbenzene.
What is the SMILES notation for 3-[amino(phenoxy)phosphoryl]oxypropylbenzene?
The canonical SMILES for 3-[amino(phenoxy)phosphoryl]oxypropylbenzene is NP(=O)(OCCCc1ccccc1)Oc1ccccc1.
What is the InChIKey of 3-[amino(phenoxy)phosphoryl]oxypropylbenzene?
The InChIKey is YKOGPAMCFYAQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18NO3P/c16-20(17,19-15-11-5-2-6-12-15)18-13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-12H,7,10,13H2,(H2,16,17).
What are the key properties of 3-[amino(phenoxy)phosphoryl]oxypropylbenzene?
3-[amino(phenoxy)phosphoryl]oxypropylbenzene has a molecular weight of 291.29 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino(phenoxy)phosphoryl]oxypropylbenzene is sourced from PubChem (CID 24761685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).