(2-amino-2-phenylpropyl) ditert-butyl phosphate

C17H30NO4P — CID 67041033

IUPAC(2-amino-2-phenylpropyl) ditert-butyl phosphate
SMILESCC(C)(C)OP(=O)(OCC(C)(N)c1ccccc1)OC(C)(C)C
InChIInChI=1S/C17H30NO4P/c1-15(2,3)21-23(19,22-16(4,5)6)20-13-17(7,18)14-11-9-8-10-12-14/h8-12H,13,18H2,1-7H3
InChIKeyIFODZTZVKCOWFH-UHFFFAOYSA-N
MW343.40 g/mol
LogP4.62
Rot. Bonds6

About (2-amino-2-phenylpropyl) ditert-butyl phosphate

(2-amino-2-phenylpropyl) ditert-butyl phosphate (PubChem CID 67041033) has the molecular formula C17H30NO4P and a molecular weight of 343.40 g/mol. Its IUPAC name is (2-amino-2-phenylpropyl) ditert-butyl phosphate.

Molecular Properties

Compound Name(2-amino-2-phenylpropyl) ditert-butyl phosphate
PubChem CID67041033
Molecular FormulaC17H30NO4P
Molecular Weight343.40 g/mol
Exact Mass343.19
IUPAC Name(2-amino-2-phenylpropyl) ditert-butyl phosphate
SMILESCC(C)(C)OP(=O)(OCC(C)(N)c1ccccc1)OC(C)(C)C
InChIInChI=1S/C17H30NO4P/c1-15(2,3)21-23(19,22-16(4,5)6)20-13-17(7,18)14-11-9-8-10-12-14/h8-12H,13,18H2,1-7H3
InChIKeyIFODZTZVKCOWFH-UHFFFAOYSA-N
XLogP4.62
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 54.62
H-Bond Donors ≤ 51
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-amino-2-phenylpropyl) ditert-butyl phosphate?
The IUPAC name of (2-amino-2-phenylpropyl) ditert-butyl phosphate (CID 67041033) is (2-amino-2-phenylpropyl) ditert-butyl phosphate.
What is the SMILES notation for (2-amino-2-phenylpropyl) ditert-butyl phosphate?
The canonical SMILES for (2-amino-2-phenylpropyl) ditert-butyl phosphate is CC(C)(C)OP(=O)(OCC(C)(N)c1ccccc1)OC(C)(C)C.
What is the InChIKey of (2-amino-2-phenylpropyl) ditert-butyl phosphate?
The InChIKey is IFODZTZVKCOWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30NO4P/c1-15(2,3)21-23(19,22-16(4,5)6)20-13-17(7,18)14-11-9-8-10-12-14/h8-12H,13,18H2,1-7H3.
What are the key properties of (2-amino-2-phenylpropyl) ditert-butyl phosphate?
(2-amino-2-phenylpropyl) ditert-butyl phosphate has a molecular weight of 343.40 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-phenylpropyl) ditert-butyl phosphate is sourced from PubChem (CID 67041033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).