2-amino-6-dimethylphosphorylphenol;(1R)-1-(5-methylfuran-2-yl)propan-1-amine

C16H25N2O3P — CID 157104022

IUPAC2-amino-6-dimethylphosphorylphenol;(1R)-1-(5-methylfuran-2-yl)propan-1-amine
SMILESCC[C@@H](N)c1ccc(C)o1.CP(C)(=O)c1cccc(N)c1O
InChIInChI=1S/C8H12NO2P.C8H13NO/c1-12(2,11)7-5-3-4-6(9)8(7)10;1-3-7(9)8-5-4-6(2)10-8/h3-5,10H,9H2,1-2H3;4-5,7H,3,9H2,1-2H3/t;7-/m.1/s1
InChIKeyAGCDJPIWKDYXJO-HMZWWLAASA-N
MW324.36 g/mol
LogP3.22
Rot. Bonds3

About 2-amino-6-dimethylphosphorylphenol;(1R)-1-(5-methylfuran-2-yl)propan-1-amine

2-amino-6-dimethylphosphorylphenol;(1R)-1-(5-methylfuran-2-yl)propan-1-amine (PubChem CID 157104022) has the molecular formula C16H25N2O3P and a molecular weight of 324.36 g/mol. Its IUPAC name is 2-amino-6-dimethylphosphorylphenol;(1R)-1-(5-methylfuran-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-amino-6-dimethylphosphorylphenol;(1R)-1-(5-methylfuran-2-yl)propan-1-amine
PubChem CID157104022
Molecular FormulaC16H25N2O3P
Molecular Weight324.36 g/mol
Exact Mass324.16
IUPAC Name2-amino-6-dimethylphosphorylphenol;(1R)-1-(5-methylfuran-2-yl)propan-1-amine
SMILESCC[C@@H](N)c1ccc(C)o1.CP(C)(=O)c1cccc(N)c1O
InChIInChI=1S/C8H12NO2P.C8H13NO/c1-12(2,11)7-5-3-4-6(9)8(7)10;1-3-7(9)8-5-4-6(2)10-8/h3-5,10H,9H2,1-2H3;4-5,7H,3,9H2,1-2H3/t;7-/m.1/s1
InChIKeyAGCDJPIWKDYXJO-HMZWWLAASA-N
XLogP3.22
TPSA102.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-dimethylphosphorylphenol;(1R)-1-(5-methylfuran-2-yl)propan-1-amine?
The IUPAC name of 2-amino-6-dimethylphosphorylphenol;(1R)-1-(5-methylfuran-2-yl)propan-1-amine (CID 157104022) is 2-amino-6-dimethylphosphorylphenol;(1R)-1-(5-methylfuran-2-yl)propan-1-amine.
What is the SMILES notation for 2-amino-6-dimethylphosphorylphenol;(1R)-1-(5-methylfuran-2-yl)propan-1-amine?
The canonical SMILES for 2-amino-6-dimethylphosphorylphenol;(1R)-1-(5-methylfuran-2-yl)propan-1-amine is CC[C@@H](N)c1ccc(C)o1.CP(C)(=O)c1cccc(N)c1O.
What is the InChIKey of 2-amino-6-dimethylphosphorylphenol;(1R)-1-(5-methylfuran-2-yl)propan-1-amine?
The InChIKey is AGCDJPIWKDYXJO-HMZWWLAASA-N. The full InChI is InChI=1S/C8H12NO2P.C8H13NO/c1-12(2,11)7-5-3-4-6(9)8(7)10;1-3-7(9)8-5-4-6(2)10-8/h3-5,10H,9H2,1-2H3;4-5,7H,3,9H2,1-2H3/t;7-/m.1/s1.
What are the key properties of 2-amino-6-dimethylphosphorylphenol;(1R)-1-(5-methylfuran-2-yl)propan-1-amine?
2-amino-6-dimethylphosphorylphenol;(1R)-1-(5-methylfuran-2-yl)propan-1-amine has a molecular weight of 324.36 g/mol, XLogP of 3.22, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-dimethylphosphorylphenol;(1R)-1-(5-methylfuran-2-yl)propan-1-amine is sourced from PubChem (CID 157104022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).