(2-amino-2-phenylethyl) dihydrogen phosphate

C8H12NO4P — CID 126722168

IUPAC(2-amino-2-phenylethyl) dihydrogen phosphate
SMILESNC(COP(=O)(O)O)c1ccccc1
InChIInChI=1S/C8H12NO4P/c9-8(6-13-14(10,11)12)7-4-2-1-3-5-7/h1-5,8H,6,9H2,(H2,10,11,12)
InChIKeyYVVPCARUCOZDLH-UHFFFAOYSA-N
MW217.16 g/mol
LogP0.80
Rot. Bonds4

About (2-amino-2-phenylethyl) dihydrogen phosphate

(2-amino-2-phenylethyl) dihydrogen phosphate (PubChem CID 126722168) has the molecular formula C8H12NO4P and a molecular weight of 217.16 g/mol. Its IUPAC name is (2-amino-2-phenylethyl) dihydrogen phosphate.

Molecular Properties

Compound Name(2-amino-2-phenylethyl) dihydrogen phosphate
PubChem CID126722168
Molecular FormulaC8H12NO4P
Molecular Weight217.16 g/mol
Exact Mass217.05
IUPAC Name(2-amino-2-phenylethyl) dihydrogen phosphate
SMILESNC(COP(=O)(O)O)c1ccccc1
InChIInChI=1S/C8H12NO4P/c9-8(6-13-14(10,11)12)7-4-2-1-3-5-7/h1-5,8H,6,9H2,(H2,10,11,12)
InChIKeyYVVPCARUCOZDLH-UHFFFAOYSA-N
XLogP0.80
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.16
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-phenylethyl) dihydrogen phosphate?
The IUPAC name of (2-amino-2-phenylethyl) dihydrogen phosphate (CID 126722168) is (2-amino-2-phenylethyl) dihydrogen phosphate.
What is the SMILES notation for (2-amino-2-phenylethyl) dihydrogen phosphate?
The canonical SMILES for (2-amino-2-phenylethyl) dihydrogen phosphate is NC(COP(=O)(O)O)c1ccccc1.
What is the InChIKey of (2-amino-2-phenylethyl) dihydrogen phosphate?
The InChIKey is YVVPCARUCOZDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12NO4P/c9-8(6-13-14(10,11)12)7-4-2-1-3-5-7/h1-5,8H,6,9H2,(H2,10,11,12).
What are the key properties of (2-amino-2-phenylethyl) dihydrogen phosphate?
(2-amino-2-phenylethyl) dihydrogen phosphate has a molecular weight of 217.16 g/mol, XLogP of 0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-phenylethyl) dihydrogen phosphate is sourced from PubChem (CID 126722168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).