1-[amino-(2-methylphenoxy)phosphoryl]oxy-2-methylbenzene

C14H16NO3P — CID 2313146

IUPAC1-[amino-(2-methylphenoxy)phosphoryl]oxy-2-methylbenzene
SMILESCc1ccccc1OP(N)(=O)Oc1ccccc1C
InChIInChI=1S/C14H16NO3P/c1-11-7-3-5-9-13(11)17-19(15,16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H2,15,16)
InChIKeyDCDHMVZIJCDWEX-UHFFFAOYSA-N
MW277.26 g/mol
LogP3.83
Rot. Bonds4

About 1-[amino-(2-methylphenoxy)phosphoryl]oxy-2-methylbenzene

1-[amino-(2-methylphenoxy)phosphoryl]oxy-2-methylbenzene (PubChem CID 2313146) has the molecular formula C14H16NO3P and a molecular weight of 277.26 g/mol. Its IUPAC name is 1-[amino-(2-methylphenoxy)phosphoryl]oxy-2-methylbenzene.

Molecular Properties

Compound Name1-[amino-(2-methylphenoxy)phosphoryl]oxy-2-methylbenzene
PubChem CID2313146
Molecular FormulaC14H16NO3P
Molecular Weight277.26 g/mol
Exact Mass277.09
IUPAC Name1-[amino-(2-methylphenoxy)phosphoryl]oxy-2-methylbenzene
SMILESCc1ccccc1OP(N)(=O)Oc1ccccc1C
InChIInChI=1S/C14H16NO3P/c1-11-7-3-5-9-13(11)17-19(15,16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H2,15,16)
InChIKeyDCDHMVZIJCDWEX-UHFFFAOYSA-N
XLogP3.83
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 53.83
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 1-[amino-(2-methylphenoxy)phosphoryl]oxy-2-methylbenzene?
The IUPAC name of 1-[amino-(2-methylphenoxy)phosphoryl]oxy-2-methylbenzene (CID 2313146) is 1-[amino-(2-methylphenoxy)phosphoryl]oxy-2-methylbenzene.
What is the SMILES notation for 1-[amino-(2-methylphenoxy)phosphoryl]oxy-2-methylbenzene?
The canonical SMILES for 1-[amino-(2-methylphenoxy)phosphoryl]oxy-2-methylbenzene is Cc1ccccc1OP(N)(=O)Oc1ccccc1C.
What is the InChIKey of 1-[amino-(2-methylphenoxy)phosphoryl]oxy-2-methylbenzene?
The InChIKey is DCDHMVZIJCDWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16NO3P/c1-11-7-3-5-9-13(11)17-19(15,16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H2,15,16).
What are the key properties of 1-[amino-(2-methylphenoxy)phosphoryl]oxy-2-methylbenzene?
1-[amino-(2-methylphenoxy)phosphoryl]oxy-2-methylbenzene has a molecular weight of 277.26 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-(2-methylphenoxy)phosphoryl]oxy-2-methylbenzene is sourced from PubChem (CID 2313146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).