N-[methoxy-(4-methoxyphenoxy)phosphoryl]methanamine

C9H14NO4P — CID 23274140

IUPACN-[methoxy-(4-methoxyphenoxy)phosphoryl]methanamine
SMILESCNP(=O)(OC)Oc1ccc(OC)cc1
InChIInChI=1S/C9H14NO4P/c1-10-15(11,13-3)14-9-6-4-8(12-2)5-7-9/h4-7H,1-3H3,(H,10,11)
InChIKeyJEZHBOBNECJLAL-UHFFFAOYSA-N
MW231.19 g/mol
LogP2.05
Rot. Bonds5

About N-[methoxy-(4-methoxyphenoxy)phosphoryl]methanamine

N-[methoxy-(4-methoxyphenoxy)phosphoryl]methanamine (PubChem CID 23274140) has the molecular formula C9H14NO4P and a molecular weight of 231.19 g/mol. Its IUPAC name is N-[methoxy-(4-methoxyphenoxy)phosphoryl]methanamine.

Molecular Properties

Compound NameN-[methoxy-(4-methoxyphenoxy)phosphoryl]methanamine
PubChem CID23274140
Molecular FormulaC9H14NO4P
Molecular Weight231.19 g/mol
Exact Mass231.07
IUPAC NameN-[methoxy-(4-methoxyphenoxy)phosphoryl]methanamine
SMILESCNP(=O)(OC)Oc1ccc(OC)cc1
InChIInChI=1S/C9H14NO4P/c1-10-15(11,13-3)14-9-6-4-8(12-2)5-7-9/h4-7H,1-3H3,(H,10,11)
InChIKeyJEZHBOBNECJLAL-UHFFFAOYSA-N
XLogP2.05
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.19
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

chloro bis(4-methoxyphenyl) phosphate
CID 19821181
(4-methoxyphenoxy)phosphonamidic acid
CID 121349218
1-[ethenyl-(4-methoxyphenoxy)phosphoryl]oxy-4-methoxybenzene
CID 14641380
tris(4-methoxyphenoxy)-sulfanylidene-λ5-phosphane
CID 101396180
[hydroxy-(4-methoxyphenoxy)phosphoryl]formic acid
CID 512082
N-[methylamino(phenoxy)phosphoryl]methanamine
CID 15643
2-(4-methoxyphenoxy)-N-methylacetamide
CID 606867
(4-methoxyphenyl)-dioxido-oxo-λ5-phosphane
CID 7004098
N-bis(4-chlorophenoxy)phosphoryl-2,5-dimethoxyaniline
CID 2272806
N-[chloro(trichloromethyl)phosphoryl]-4-methoxyaniline
CID 3263552
4-[(4-methoxyphenoxy)-methylphosphoryl]oxybenzonitrile
CID 10017840
1-methoxy-4-[[4-[methyl(phenyl)phosphoryl]oxyphenyl]methyl]benzene
CID 59289670

Frequently Asked Questions

What is the IUPAC name of N-[methoxy-(4-methoxyphenoxy)phosphoryl]methanamine?
The IUPAC name of N-[methoxy-(4-methoxyphenoxy)phosphoryl]methanamine (CID 23274140) is N-[methoxy-(4-methoxyphenoxy)phosphoryl]methanamine.
What is the SMILES notation for N-[methoxy-(4-methoxyphenoxy)phosphoryl]methanamine?
The canonical SMILES for N-[methoxy-(4-methoxyphenoxy)phosphoryl]methanamine is CNP(=O)(OC)Oc1ccc(OC)cc1.
What is the InChIKey of N-[methoxy-(4-methoxyphenoxy)phosphoryl]methanamine?
The InChIKey is JEZHBOBNECJLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14NO4P/c1-10-15(11,13-3)14-9-6-4-8(12-2)5-7-9/h4-7H,1-3H3,(H,10,11).
What are the key properties of N-[methoxy-(4-methoxyphenoxy)phosphoryl]methanamine?
N-[methoxy-(4-methoxyphenoxy)phosphoryl]methanamine has a molecular weight of 231.19 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[methoxy-(4-methoxyphenoxy)phosphoryl]methanamine is sourced from PubChem (CID 23274140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).