N-[methylamino(phenoxy)phosphoryl]methanamine

C8H13N2O2P — CID 15643

IUPACN-[methylamino(phenoxy)phosphoryl]methanamine
SMILESCNP(=O)(NC)Oc1ccccc1
InChIInChI=1S/C8H13N2O2P/c1-9-13(11,10-2)12-8-6-4-3-5-7-8/h3-7H,1-2H3,(H2,9,10,11)
InChIKeyZKIBFASDNPOJFP-UHFFFAOYSA-N
MW200.18 g/mol
LogP1.61
Rot. Bonds4

About N-[methylamino(phenoxy)phosphoryl]methanamine

N-[methylamino(phenoxy)phosphoryl]methanamine (PubChem CID 15643) has the molecular formula C8H13N2O2P and a molecular weight of 200.18 g/mol. Its IUPAC name is N-[methylamino(phenoxy)phosphoryl]methanamine.

Molecular Properties

Compound NameN-[methylamino(phenoxy)phosphoryl]methanamine
PubChem CID15643
Molecular FormulaC8H13N2O2P
Molecular Weight200.18 g/mol
Exact Mass200.07
IUPAC NameN-[methylamino(phenoxy)phosphoryl]methanamine
SMILESCNP(=O)(NC)Oc1ccccc1
InChIInChI=1S/C8H13N2O2P/c1-9-13(11,10-2)12-8-6-4-3-5-7-8/h3-7H,1-2H3,(H2,9,10,11)
InChIKeyZKIBFASDNPOJFP-UHFFFAOYSA-N
XLogP1.61
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.18
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[methyl-[[methyl(phenoxy)phosphoryl]amino]phosphoryl]oxybenzene
CID 11865181
[methoxy(methyl)phosphoryl]oxybenzene
CID 564592
dimethyl phenyl phosphate;ethane;trimethyl phosphate
CID 90867053
bis(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863
triphenyl phosphate;hydrate
CID 66881958
[amino(methyl)phosphoryl]oxybenzene
CID 11864135
2-methylpropane;triphenyl phosphate
CID 91193965
tetrasodium phenyl phosphate
CID 172856118
disodium;phenyl phosphate
CID 2724225
ethane;propan-2-yl (2S)-2-[[methylamino(phenoxy)phosphoryl]amino]-3-phenylpropanoate
CID 169219377
[methoxy-[[methoxy(phenoxy)phosphoryl]methyl]phosphoryl]oxybenzene;dihydrate
CID 87979302
[2-dimethoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene
CID 132915786

Frequently Asked Questions

What is the IUPAC name of N-[methylamino(phenoxy)phosphoryl]methanamine?
The IUPAC name of N-[methylamino(phenoxy)phosphoryl]methanamine (CID 15643) is N-[methylamino(phenoxy)phosphoryl]methanamine.
What is the SMILES notation for N-[methylamino(phenoxy)phosphoryl]methanamine?
The canonical SMILES for N-[methylamino(phenoxy)phosphoryl]methanamine is CNP(=O)(NC)Oc1ccccc1.
What is the InChIKey of N-[methylamino(phenoxy)phosphoryl]methanamine?
The InChIKey is ZKIBFASDNPOJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N2O2P/c1-9-13(11,10-2)12-8-6-4-3-5-7-8/h3-7H,1-2H3,(H2,9,10,11).
What are the key properties of N-[methylamino(phenoxy)phosphoryl]methanamine?
N-[methylamino(phenoxy)phosphoryl]methanamine has a molecular weight of 200.18 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[methylamino(phenoxy)phosphoryl]methanamine is sourced from PubChem (CID 15643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).