N-[(2-chlorophenoxy)-methoxyphosphoryl]methanamine

C8H11ClNO3P — CID 23273947

IUPACN-[(2-chlorophenoxy)-methoxyphosphoryl]methanamine
SMILESCNP(=O)(OC)Oc1ccccc1Cl
InChIInChI=1S/C8H11ClNO3P/c1-10-14(11,12-2)13-8-6-4-3-5-7(8)9/h3-6H,1-2H3,(H,10,11)
InChIKeyUCSOCXWIVVLAAK-UHFFFAOYSA-N
MW235.61 g/mol
LogP2.69
Rot. Bonds4

About N-[(2-chlorophenoxy)-methoxyphosphoryl]methanamine

N-[(2-chlorophenoxy)-methoxyphosphoryl]methanamine (PubChem CID 23273947) has the molecular formula C8H11ClNO3P and a molecular weight of 235.61 g/mol. Its IUPAC name is N-[(2-chlorophenoxy)-methoxyphosphoryl]methanamine.

Molecular Properties

Compound NameN-[(2-chlorophenoxy)-methoxyphosphoryl]methanamine
PubChem CID23273947
Molecular FormulaC8H11ClNO3P
Molecular Weight235.61 g/mol
Exact Mass235.02
IUPAC NameN-[(2-chlorophenoxy)-methoxyphosphoryl]methanamine
SMILESCNP(=O)(OC)Oc1ccccc1Cl
InChIInChI=1S/C8H11ClNO3P/c1-10-14(11,12-2)13-8-6-4-3-5-7(8)9/h3-6H,1-2H3,(H,10,11)
InChIKeyUCSOCXWIVVLAAK-UHFFFAOYSA-N
XLogP2.69
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.61
LogP ≤ 52.69
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 N-[(2-chlorophenoxy)-methoxyphosphoryl]methanamine?
The IUPAC name of N-[(2-chlorophenoxy)-methoxyphosphoryl]methanamine (CID 23273947) is N-[(2-chlorophenoxy)-methoxyphosphoryl]methanamine.
What is the SMILES notation for N-[(2-chlorophenoxy)-methoxyphosphoryl]methanamine?
The canonical SMILES for N-[(2-chlorophenoxy)-methoxyphosphoryl]methanamine is CNP(=O)(OC)Oc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenoxy)-methoxyphosphoryl]methanamine?
The InChIKey is UCSOCXWIVVLAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClNO3P/c1-10-14(11,12-2)13-8-6-4-3-5-7(8)9/h3-6H,1-2H3,(H,10,11).
What are the key properties of N-[(2-chlorophenoxy)-methoxyphosphoryl]methanamine?
N-[(2-chlorophenoxy)-methoxyphosphoryl]methanamine has a molecular weight of 235.61 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenoxy)-methoxyphosphoryl]methanamine is sourced from PubChem (CID 23273947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).