2-[diethoxyphosphoryl(methyl)amino]-1-phenylpropan-1-ol

C14H24NO4P — CID 66624386

IUPAC2-[diethoxyphosphoryl(methyl)amino]-1-phenylpropan-1-ol
SMILESCCOP(=O)(OCC)N(C)C(C)C(O)c1ccccc1
InChIInChI=1S/C14H24NO4P/c1-5-18-20(17,19-6-2)15(4)12(3)14(16)13-10-8-7-9-11-13/h7-12,14,16H,5-6H2,1-4H3
InChIKeySRUXRJGQXKVHCB-UHFFFAOYSA-N
MW301.32 g/mol
LogP3.22
Rot. Bonds8

About 2-[diethoxyphosphoryl(methyl)amino]-1-phenylpropan-1-ol

2-[diethoxyphosphoryl(methyl)amino]-1-phenylpropan-1-ol (PubChem CID 66624386) has the molecular formula C14H24NO4P and a molecular weight of 301.32 g/mol. Its IUPAC name is 2-[diethoxyphosphoryl(methyl)amino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[diethoxyphosphoryl(methyl)amino]-1-phenylpropan-1-ol
PubChem CID66624386
Molecular FormulaC14H24NO4P
Molecular Weight301.32 g/mol
Exact Mass301.14
IUPAC Name2-[diethoxyphosphoryl(methyl)amino]-1-phenylpropan-1-ol
SMILESCCOP(=O)(OCC)N(C)C(C)C(O)c1ccccc1
InChIInChI=1S/C14H24NO4P/c1-5-18-20(17,19-6-2)15(4)12(3)14(16)13-10-8-7-9-11-13/h7-12,14,16H,5-6H2,1-4H3
InChIKeySRUXRJGQXKVHCB-UHFFFAOYSA-N
XLogP3.22
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 53.22
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

(1S,2R)-2-[diphenylphosphoryl(methyl)amino]-1-phenylpropan-1-ol
CID 124555381
2-[ethyl(methyl)amino]-1-phenylpropan-1-ol
CID 10734
N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
CID 11138684
2-diethoxyphosphoryl-1-phenylhexan-1-ol
CID 42646641
(1S)-2-[2-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]ethyl-methylamino]-1-phenylpropan-1-ol
CID 102595877
(2R)-2-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride
CID 163285620
(1S,2R)-2-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride
CID 3041454
3-ethoxy-4-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]cyclobut-3-ene-1,2-dione
CID 14872885
(E)-4-diethoxyphosphoryl-1-phenylbut-3-en-1-ol
CID 11087304
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-phenylacetamide
CID 54856748
(1R,2R)-2-diethoxyphosphoryl-1-phenyl-2-phenylmethoxyethanol
CID 102333800
(1S,2R)-2-(dipropylamino)-1-phenylpropan-1-ol
CID 11118019

Frequently Asked Questions

What is the IUPAC name of 2-[diethoxyphosphoryl(methyl)amino]-1-phenylpropan-1-ol?
The IUPAC name of 2-[diethoxyphosphoryl(methyl)amino]-1-phenylpropan-1-ol (CID 66624386) is 2-[diethoxyphosphoryl(methyl)amino]-1-phenylpropan-1-ol.
What is the SMILES notation for 2-[diethoxyphosphoryl(methyl)amino]-1-phenylpropan-1-ol?
The canonical SMILES for 2-[diethoxyphosphoryl(methyl)amino]-1-phenylpropan-1-ol is CCOP(=O)(OCC)N(C)C(C)C(O)c1ccccc1.
What is the InChIKey of 2-[diethoxyphosphoryl(methyl)amino]-1-phenylpropan-1-ol?
The InChIKey is SRUXRJGQXKVHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24NO4P/c1-5-18-20(17,19-6-2)15(4)12(3)14(16)13-10-8-7-9-11-13/h7-12,14,16H,5-6H2,1-4H3.
What are the key properties of 2-[diethoxyphosphoryl(methyl)amino]-1-phenylpropan-1-ol?
2-[diethoxyphosphoryl(methyl)amino]-1-phenylpropan-1-ol has a molecular weight of 301.32 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[diethoxyphosphoryl(methyl)amino]-1-phenylpropan-1-ol is sourced from PubChem (CID 66624386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).