1-[amino(methyl)phosphoryl]oxy-3,5-dimethylbenzene

C9H14NO2P — CID 11864137

IUPAC1-[amino(methyl)phosphoryl]oxy-3,5-dimethylbenzene
SMILESCc1cc(C)cc(O[P@@](C)(N)=O)c1
InChIInChI=1S/C9H14NO2P/c1-7-4-8(2)6-9(5-7)12-13(3,10)11/h4-6H,1-3H3,(H2,10,11)/t13-/m0/s1
InChIKeyCUASNQXPZALNOB-ZDUSSCGKSA-N
MW199.19 g/mol
LogP2.46
Rot. Bonds2

About 1-[amino(methyl)phosphoryl]oxy-3,5-dimethylbenzene

1-[amino(methyl)phosphoryl]oxy-3,5-dimethylbenzene (PubChem CID 11864137) has the molecular formula C9H14NO2P and a molecular weight of 199.19 g/mol. Its IUPAC name is 1-[amino(methyl)phosphoryl]oxy-3,5-dimethylbenzene.

Molecular Properties

Compound Name1-[amino(methyl)phosphoryl]oxy-3,5-dimethylbenzene
PubChem CID11864137
Molecular FormulaC9H14NO2P
Molecular Weight199.19 g/mol
Exact Mass199.08
IUPAC Name1-[amino(methyl)phosphoryl]oxy-3,5-dimethylbenzene
SMILESCc1cc(C)cc(O[P@@](C)(N)=O)c1
InChIInChI=1S/C9H14NO2P/c1-7-4-8(2)6-9(5-7)12-13(3,10)11/h4-6H,1-3H3,(H2,10,11)/t13-/m0/s1
InChIKeyCUASNQXPZALNOB-ZDUSSCGKSA-N
XLogP2.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.19
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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(methyl)phosphoryl]oxy-3,5-dimethylbenzene?
The IUPAC name of 1-[amino(methyl)phosphoryl]oxy-3,5-dimethylbenzene (CID 11864137) is 1-[amino(methyl)phosphoryl]oxy-3,5-dimethylbenzene.
What is the SMILES notation for 1-[amino(methyl)phosphoryl]oxy-3,5-dimethylbenzene?
The canonical SMILES for 1-[amino(methyl)phosphoryl]oxy-3,5-dimethylbenzene is Cc1cc(C)cc(O[P@@](C)(N)=O)c1.
What is the InChIKey of 1-[amino(methyl)phosphoryl]oxy-3,5-dimethylbenzene?
The InChIKey is CUASNQXPZALNOB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C9H14NO2P/c1-7-4-8(2)6-9(5-7)12-13(3,10)11/h4-6H,1-3H3,(H2,10,11)/t13-/m0/s1.
What are the key properties of 1-[amino(methyl)phosphoryl]oxy-3,5-dimethylbenzene?
1-[amino(methyl)phosphoryl]oxy-3,5-dimethylbenzene has a molecular weight of 199.19 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino(methyl)phosphoryl]oxy-3,5-dimethylbenzene is sourced from PubChem (CID 11864137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).