N-[dimethylamino-(4-methylphenoxy)phosphoryl]-N-ethylethanamine

C13H23N2O2P — CID 57340814

IUPACN-[dimethylamino-(4-methylphenoxy)phosphoryl]-N-ethylethanamine
SMILESCCN(CC)P(=O)(Oc1ccc(C)cc1)N(C)C
InChIInChI=1S/C13H23N2O2P/c1-6-15(7-2)18(16,14(4)5)17-13-10-8-12(3)9-11-13/h8-11H,6-7H2,1-5H3
InChIKeyANINIYVKJMLYDZ-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.39
Rot. Bonds6

About N-[dimethylamino-(4-methylphenoxy)phosphoryl]-N-ethylethanamine

N-[dimethylamino-(4-methylphenoxy)phosphoryl]-N-ethylethanamine (PubChem CID 57340814) has the molecular formula C13H23N2O2P and a molecular weight of 270.31 g/mol. Its IUPAC name is N-[dimethylamino-(4-methylphenoxy)phosphoryl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[dimethylamino-(4-methylphenoxy)phosphoryl]-N-ethylethanamine
PubChem CID57340814
Molecular FormulaC13H23N2O2P
Molecular Weight270.31 g/mol
Exact Mass270.15
IUPAC NameN-[dimethylamino-(4-methylphenoxy)phosphoryl]-N-ethylethanamine
SMILESCCN(CC)P(=O)(Oc1ccc(C)cc1)N(C)C
InChIInChI=1S/C13H23N2O2P/c1-6-15(7-2)18(16,14(4)5)17-13-10-8-12(3)9-11-13/h8-11H,6-7H2,1-5H3
InChIKeyANINIYVKJMLYDZ-UHFFFAOYSA-N
XLogP3.39
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.39
H-Bond Donors ≤ 50
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 N-[dimethylamino-(4-methylphenoxy)phosphoryl]-N-ethylethanamine?
The IUPAC name of N-[dimethylamino-(4-methylphenoxy)phosphoryl]-N-ethylethanamine (CID 57340814) is N-[dimethylamino-(4-methylphenoxy)phosphoryl]-N-ethylethanamine.
What is the SMILES notation for N-[dimethylamino-(4-methylphenoxy)phosphoryl]-N-ethylethanamine?
The canonical SMILES for N-[dimethylamino-(4-methylphenoxy)phosphoryl]-N-ethylethanamine is CCN(CC)P(=O)(Oc1ccc(C)cc1)N(C)C.
What is the InChIKey of N-[dimethylamino-(4-methylphenoxy)phosphoryl]-N-ethylethanamine?
The InChIKey is ANINIYVKJMLYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N2O2P/c1-6-15(7-2)18(16,14(4)5)17-13-10-8-12(3)9-11-13/h8-11H,6-7H2,1-5H3.
What are the key properties of N-[dimethylamino-(4-methylphenoxy)phosphoryl]-N-ethylethanamine?
N-[dimethylamino-(4-methylphenoxy)phosphoryl]-N-ethylethanamine has a molecular weight of 270.31 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dimethylamino-(4-methylphenoxy)phosphoryl]-N-ethylethanamine is sourced from PubChem (CID 57340814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).