(1R)-2-(benzylamino)-1-diethoxyphosphorylethanol

C13H22NO4P — CID 10968155

IUPAC(1R)-2-(benzylamino)-1-diethoxyphosphorylethanol
SMILESCCOP(=O)(OCC)[C@@H](O)CNCc1ccccc1
InChIInChI=1S/C13H22NO4P/c1-3-17-19(16,18-4-2)13(15)11-14-10-12-8-6-5-7-9-12/h5-9,13-15H,3-4,10-11H2,1-2H3/t13-/m1/s1
InChIKeyBDBXGZBQGSSJOC-CYBMUJFWSA-N
MW287.30 g/mol
LogP2.36
Rot. Bonds9

About (1R)-2-(benzylamino)-1-diethoxyphosphorylethanol

(1R)-2-(benzylamino)-1-diethoxyphosphorylethanol (PubChem CID 10968155) has the molecular formula C13H22NO4P and a molecular weight of 287.30 g/mol. Its IUPAC name is (1R)-2-(benzylamino)-1-diethoxyphosphorylethanol.

Molecular Properties

Compound Name(1R)-2-(benzylamino)-1-diethoxyphosphorylethanol
PubChem CID10968155
Molecular FormulaC13H22NO4P
Molecular Weight287.30 g/mol
Exact Mass287.13
IUPAC Name(1R)-2-(benzylamino)-1-diethoxyphosphorylethanol
SMILESCCOP(=O)(OCC)[C@@H](O)CNCc1ccccc1
InChIInChI=1S/C13H22NO4P/c1-3-17-19(16,18-4-2)13(15)11-14-10-12-8-6-5-7-9-12/h5-9,13-15H,3-4,10-11H2,1-2H3/t13-/m1/s1
InChIKeyBDBXGZBQGSSJOC-CYBMUJFWSA-N
XLogP2.36
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-diethoxyphosphoryl-3-phenylpropan-1-ol
CID 12930490
(1S)-1-diethoxyphosphoryl-3-phenylmethoxypropan-1-ol
CID 134942131
N-benzyl-1-diethoxyphosphorylpropan-1-amine
CID 71361859
N-(diethoxyphosphorylmethyl)-1-phenylmethanamine;hydrochloride
CID 23298000
(2S)-1-(benzylamino)propan-2-ol
CID 964914
(2S)-1-(benzylamino)-3-(2-ethoxyphenoxy)propan-2-ol
CID 39424747
N-[(benzylamino)-ethoxyphosphoryl]-1-phenylmethanamine
CID 13438203
2-diethoxyphosphoryl-2-hydroxy-1-phenylethanone
CID 122232536
1-azido-N-benzyl-1-diethoxyphosphorylmethanamine
CID 24975691
(3R)-3-(benzylamino)-3-diethoxyphosphorylpropanenitrile
CID 102399088
ethyl 4-(benzylamino)-3-methylbutanoate
CID 174566345
1-(benzylamino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989015

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(benzylamino)-1-diethoxyphosphorylethanol?
The IUPAC name of (1R)-2-(benzylamino)-1-diethoxyphosphorylethanol (CID 10968155) is (1R)-2-(benzylamino)-1-diethoxyphosphorylethanol.
What is the SMILES notation for (1R)-2-(benzylamino)-1-diethoxyphosphorylethanol?
The canonical SMILES for (1R)-2-(benzylamino)-1-diethoxyphosphorylethanol is CCOP(=O)(OCC)[C@@H](O)CNCc1ccccc1.
What is the InChIKey of (1R)-2-(benzylamino)-1-diethoxyphosphorylethanol?
The InChIKey is BDBXGZBQGSSJOC-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H22NO4P/c1-3-17-19(16,18-4-2)13(15)11-14-10-12-8-6-5-7-9-12/h5-9,13-15H,3-4,10-11H2,1-2H3/t13-/m1/s1.
What are the key properties of (1R)-2-(benzylamino)-1-diethoxyphosphorylethanol?
(1R)-2-(benzylamino)-1-diethoxyphosphorylethanol has a molecular weight of 287.30 g/mol, XLogP of 2.36, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(benzylamino)-1-diethoxyphosphorylethanol is sourced from PubChem (CID 10968155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).