N-[diethylamino-(3-methylphenoxy)phosphoryl]-N-ethylethanamine

C15H27N2O2P — CID 785435

IUPACN-[diethylamino-(3-methylphenoxy)phosphoryl]-N-ethylethanamine
SMILESCCN(CC)P(=O)(Oc1cccc(C)c1)N(CC)CC
InChIInChI=1S/C15H27N2O2P/c1-6-16(7-2)20(18,17(8-3)9-4)19-15-12-10-11-14(5)13-15/h10-13H,6-9H2,1-5H3
InChIKeyDFSFUJCCGATRGL-UHFFFAOYSA-N
MW298.37 g/mol
LogP4.17
Rot. Bonds8

About N-[diethylamino-(3-methylphenoxy)phosphoryl]-N-ethylethanamine

N-[diethylamino-(3-methylphenoxy)phosphoryl]-N-ethylethanamine (PubChem CID 785435) has the molecular formula C15H27N2O2P and a molecular weight of 298.37 g/mol. Its IUPAC name is N-[diethylamino-(3-methylphenoxy)phosphoryl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[diethylamino-(3-methylphenoxy)phosphoryl]-N-ethylethanamine
PubChem CID785435
Molecular FormulaC15H27N2O2P
Molecular Weight298.37 g/mol
Exact Mass298.18
IUPAC NameN-[diethylamino-(3-methylphenoxy)phosphoryl]-N-ethylethanamine
SMILESCCN(CC)P(=O)(Oc1cccc(C)c1)N(CC)CC
InChIInChI=1S/C15H27N2O2P/c1-6-16(7-2)20(18,17(8-3)9-4)19-15-12-10-11-14(5)13-15/h10-13H,6-9H2,1-5H3
InChIKeyDFSFUJCCGATRGL-UHFFFAOYSA-N
XLogP4.17
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 54.17
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-[diethylamino-(3-methylphenoxy)phosphoryl]-N-ethylethanamine?
The IUPAC name of N-[diethylamino-(3-methylphenoxy)phosphoryl]-N-ethylethanamine (CID 785435) is N-[diethylamino-(3-methylphenoxy)phosphoryl]-N-ethylethanamine.
What is the SMILES notation for N-[diethylamino-(3-methylphenoxy)phosphoryl]-N-ethylethanamine?
The canonical SMILES for N-[diethylamino-(3-methylphenoxy)phosphoryl]-N-ethylethanamine is CCN(CC)P(=O)(Oc1cccc(C)c1)N(CC)CC.
What is the InChIKey of N-[diethylamino-(3-methylphenoxy)phosphoryl]-N-ethylethanamine?
The InChIKey is DFSFUJCCGATRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N2O2P/c1-6-16(7-2)20(18,17(8-3)9-4)19-15-12-10-11-14(5)13-15/h10-13H,6-9H2,1-5H3.
What are the key properties of N-[diethylamino-(3-methylphenoxy)phosphoryl]-N-ethylethanamine?
N-[diethylamino-(3-methylphenoxy)phosphoryl]-N-ethylethanamine has a molecular weight of 298.37 g/mol, XLogP of 4.17, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[diethylamino-(3-methylphenoxy)phosphoryl]-N-ethylethanamine is sourced from PubChem (CID 785435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).