N-[dimethylamino-(2,6-dimethylphenoxy)phosphoryl]-N-methylmethanamine

C12H21N2O2P — CID 14824919

IUPACN-[dimethylamino-(2,6-dimethylphenoxy)phosphoryl]-N-methylmethanamine
SMILESCc1cccc(C)c1OP(=O)(N(C)C)N(C)C
InChIInChI=1S/C12H21N2O2P/c1-10-8-7-9-11(2)12(10)16-17(15,13(3)4)14(5)6/h7-9H,1-6H3
InChIKeyQLZXYWDAAVROPG-UHFFFAOYSA-N
MW256.29 g/mol
LogP2.91
Rot. Bonds4

About N-[dimethylamino-(2,6-dimethylphenoxy)phosphoryl]-N-methylmethanamine

N-[dimethylamino-(2,6-dimethylphenoxy)phosphoryl]-N-methylmethanamine (PubChem CID 14824919) has the molecular formula C12H21N2O2P and a molecular weight of 256.29 g/mol. Its IUPAC name is N-[dimethylamino-(2,6-dimethylphenoxy)phosphoryl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[dimethylamino-(2,6-dimethylphenoxy)phosphoryl]-N-methylmethanamine
PubChem CID14824919
Molecular FormulaC12H21N2O2P
Molecular Weight256.29 g/mol
Exact Mass256.13
IUPAC NameN-[dimethylamino-(2,6-dimethylphenoxy)phosphoryl]-N-methylmethanamine
SMILESCc1cccc(C)c1OP(=O)(N(C)C)N(C)C
InChIInChI=1S/C12H21N2O2P/c1-10-8-7-9-11(2)12(10)16-17(15,13(3)4)14(5)6/h7-9H,1-6H3
InChIKeyQLZXYWDAAVROPG-UHFFFAOYSA-N
XLogP2.91
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[dimethylamino-(2,6-dimethylphenoxy)phosphoryl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-bis(2,6-dimethylphenoxy)phosphoryloxyphenyl] bis(2,6-dimethylphenyl) phosphate
CID 15789016
bis(2,6-dimethylphenyl) propan-2-yl phosphate
CID 160920059
N,N'-bis[bis(2,6-dimethylphenoxy)phosphoryl]ethane-1,2-diamine
CID 14026708
bis(2,6-dimethylphenyl) ethenyl phosphate
CID 11688544
bis(2,6-dimethylphenoxy)phosphoryloxymethyl dimethyl phosphate
CID 54541684
1,5-dimethylnaphthalene
CID 162159355
[4-[2-[4-bis(2,6-dimethylphenoxy)phosphoryloxyphenyl]propan-2-yl]phenyl] bis(2,6-dimethylphenyl) phosphate;ethane
CID 91386921
ethyl 2-[[(2,6-dimethylphenoxy)-ethylphosphoryl]amino]propanoate
CID 143041195
CID 11032416
CID 11032416
bis(2,6-dimethylphenyl) sulfate
CID 150501347
N-[dimethylamino-(2-methylphenyl)sulfanylphosphoryl]-N-methylmethanamine
CID 14913540
2-dimethylphosphoryl-1,3-dimethylbenzene
CID 146299903

Frequently Asked Questions

What is the IUPAC name of N-[dimethylamino-(2,6-dimethylphenoxy)phosphoryl]-N-methylmethanamine?
The IUPAC name of N-[dimethylamino-(2,6-dimethylphenoxy)phosphoryl]-N-methylmethanamine (CID 14824919) is N-[dimethylamino-(2,6-dimethylphenoxy)phosphoryl]-N-methylmethanamine.
What is the SMILES notation for N-[dimethylamino-(2,6-dimethylphenoxy)phosphoryl]-N-methylmethanamine?
The canonical SMILES for N-[dimethylamino-(2,6-dimethylphenoxy)phosphoryl]-N-methylmethanamine is Cc1cccc(C)c1OP(=O)(N(C)C)N(C)C.
What is the InChIKey of N-[dimethylamino-(2,6-dimethylphenoxy)phosphoryl]-N-methylmethanamine?
The InChIKey is QLZXYWDAAVROPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N2O2P/c1-10-8-7-9-11(2)12(10)16-17(15,13(3)4)14(5)6/h7-9H,1-6H3.
What are the key properties of N-[dimethylamino-(2,6-dimethylphenoxy)phosphoryl]-N-methylmethanamine?
N-[dimethylamino-(2,6-dimethylphenoxy)phosphoryl]-N-methylmethanamine has a molecular weight of 256.29 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dimethylamino-(2,6-dimethylphenoxy)phosphoryl]-N-methylmethanamine is sourced from PubChem (CID 14824919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).