2-(benzylamino)-2-dimethoxyphosphorylpropan-1-ol

C12H20NO4P — CID 155552484

IUPAC2-(benzylamino)-2-dimethoxyphosphorylpropan-1-ol
SMILESCOP(=O)(OC)C(C)(CO)NCc1ccccc1
InChIInChI=1S/C12H20NO4P/c1-12(10-14,18(15,16-2)17-3)13-9-11-7-5-4-6-8-11/h4-8,13-14H,9-10H2,1-3H3
InChIKeyYTNSTYJTPQRJEQ-UHFFFAOYSA-N
MW273.27 g/mol
LogP1.97
Rot. Bonds7

About 2-(benzylamino)-2-dimethoxyphosphorylpropan-1-ol

2-(benzylamino)-2-dimethoxyphosphorylpropan-1-ol (PubChem CID 155552484) has the molecular formula C12H20NO4P and a molecular weight of 273.27 g/mol. Its IUPAC name is 2-(benzylamino)-2-dimethoxyphosphorylpropan-1-ol.

Molecular Properties

Compound Name2-(benzylamino)-2-dimethoxyphosphorylpropan-1-ol
PubChem CID155552484
Molecular FormulaC12H20NO4P
Molecular Weight273.27 g/mol
Exact Mass273.11
IUPAC Name2-(benzylamino)-2-dimethoxyphosphorylpropan-1-ol
SMILESCOP(=O)(OC)C(C)(CO)NCc1ccccc1
InChIInChI=1S/C12H20NO4P/c1-12(10-14,18(15,16-2)17-3)13-9-11-7-5-4-6-8-11/h4-8,13-14H,9-10H2,1-3H3
InChIKeyYTNSTYJTPQRJEQ-UHFFFAOYSA-N
XLogP1.97
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-2-dimethoxyphosphorylpropan-1-ol?
The IUPAC name of 2-(benzylamino)-2-dimethoxyphosphorylpropan-1-ol (CID 155552484) is 2-(benzylamino)-2-dimethoxyphosphorylpropan-1-ol.
What is the SMILES notation for 2-(benzylamino)-2-dimethoxyphosphorylpropan-1-ol?
The canonical SMILES for 2-(benzylamino)-2-dimethoxyphosphorylpropan-1-ol is COP(=O)(OC)C(C)(CO)NCc1ccccc1.
What is the InChIKey of 2-(benzylamino)-2-dimethoxyphosphorylpropan-1-ol?
The InChIKey is YTNSTYJTPQRJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20NO4P/c1-12(10-14,18(15,16-2)17-3)13-9-11-7-5-4-6-8-11/h4-8,13-14H,9-10H2,1-3H3.
What are the key properties of 2-(benzylamino)-2-dimethoxyphosphorylpropan-1-ol?
2-(benzylamino)-2-dimethoxyphosphorylpropan-1-ol has a molecular weight of 273.27 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-2-dimethoxyphosphorylpropan-1-ol is sourced from PubChem (CID 155552484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).