(2R)-1-phenylpropan-2-amine;phosphoric acid

C9H16NO4P — CID 76961595

IUPAC(2R)-1-phenylpropan-2-amine;phosphoric acid
SMILESC[C@@H](N)Cc1ccccc1.O=P(O)(O)O
InChIInChI=1S/C9H13N.H3O4P/c1-8(10)7-9-5-3-2-4-6-9;1-5(2,3)4/h2-6,8H,7,10H2,1H3;(H3,1,2,3,4)/t8-;/m1./s1
InChIKeyZHVLGOLHHYJSBZ-DDWIOCJRSA-N
MW233.20 g/mol
LogP0.65
Rot. Bonds2

About (2R)-1-phenylpropan-2-amine;phosphoric acid

(2R)-1-phenylpropan-2-amine;phosphoric acid (PubChem CID 76961595) has the molecular formula C9H16NO4P and a molecular weight of 233.20 g/mol. Its IUPAC name is (2R)-1-phenylpropan-2-amine;phosphoric acid.

Molecular Properties

Compound Name(2R)-1-phenylpropan-2-amine;phosphoric acid
PubChem CID76961595
Molecular FormulaC9H16NO4P
Molecular Weight233.20 g/mol
Exact Mass233.08
IUPAC Name(2R)-1-phenylpropan-2-amine;phosphoric acid
SMILESC[C@@H](N)Cc1ccccc1.O=P(O)(O)O
InChIInChI=1S/C9H13N.H3O4P/c1-8(10)7-9-5-3-2-4-6-9;1-5(2,3)4/h2-6,8H,7,10H2,1H3;(H3,1,2,3,4)/t8-;/m1./s1
InChIKeyZHVLGOLHHYJSBZ-DDWIOCJRSA-N
XLogP0.65
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.20
LogP ≤ 50.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

λ2-plumbane;1-phenylpropan-2-amine
CID 174896483
azane;1-phenylpropan-2-amine
CID 67350534
λ2-plumbane;bis((2S)-1-phenylpropan-2-amine);sulfuric acid
CID 173242520
potassium;1-phenylpropan-2-amine;iodide
CID 70390373
methanesulfonic acid;1-phenylpropan-2-amine
CID 173025540
tris(2-aminoacetic acid);1-phenylpropan-2-amine
CID 66730614
methanesulfonic acid;(2S)-1-phenylpropan-2-amine
CID 87182702
(2S)-2-amino-3-phenylpropanoic acid;phosphoric acid
CID 69256831
(2S)-2-amino-3-hydroxypropanoic acid;1-phenylpropan-2-amine
CID 66730568
1-amino-2-phenylethanethiol;1-phenylpropan-2-amine
CID 160760295
methyl (2S)-2-amino-3-phenylpropanoate;phosphoric acid
CID 67831434
(2S)-N-di(propan-2-yloxy)phosphoryl-1-phenylpropan-2-amine;(2S)-1-phenylpropan-2-amine
CID 162245809

Frequently Asked Questions

What is the IUPAC name of (2R)-1-phenylpropan-2-amine;phosphoric acid?
The IUPAC name of (2R)-1-phenylpropan-2-amine;phosphoric acid (CID 76961595) is (2R)-1-phenylpropan-2-amine;phosphoric acid.
What is the SMILES notation for (2R)-1-phenylpropan-2-amine;phosphoric acid?
The canonical SMILES for (2R)-1-phenylpropan-2-amine;phosphoric acid is C[C@@H](N)Cc1ccccc1.O=P(O)(O)O.
What is the InChIKey of (2R)-1-phenylpropan-2-amine;phosphoric acid?
The InChIKey is ZHVLGOLHHYJSBZ-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H13N.H3O4P/c1-8(10)7-9-5-3-2-4-6-9;1-5(2,3)4/h2-6,8H,7,10H2,1H3;(H3,1,2,3,4)/t8-;/m1./s1.
What are the key properties of (2R)-1-phenylpropan-2-amine;phosphoric acid?
(2R)-1-phenylpropan-2-amine;phosphoric acid has a molecular weight of 233.20 g/mol, XLogP of 0.65, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-phenylpropan-2-amine;phosphoric acid is sourced from PubChem (CID 76961595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).