(1-aminonaphthalen-2-yl)methylphosphonic acid

C11H12NO3P — CID 123265884

IUPAC(1-aminonaphthalen-2-yl)methylphosphonic acid
SMILESNc1c(CP(=O)(O)O)ccc2ccccc12
InChIInChI=1S/C11H12NO3P/c12-11-9(7-16(13,14)15)6-5-8-3-1-2-4-10(8)11/h1-6H,7,12H2,(H2,13,14,15)
InChIKeyAWJCWJVMGJUWEF-UHFFFAOYSA-N
MW237.20 g/mol
LogP2.10
Rot. Bonds2

About (1-aminonaphthalen-2-yl)methylphosphonic acid

(1-aminonaphthalen-2-yl)methylphosphonic acid (PubChem CID 123265884) has the molecular formula C11H12NO3P and a molecular weight of 237.20 g/mol. Its IUPAC name is (1-aminonaphthalen-2-yl)methylphosphonic acid.

Molecular Properties

Compound Name(1-aminonaphthalen-2-yl)methylphosphonic acid
PubChem CID123265884
Molecular FormulaC11H12NO3P
Molecular Weight237.20 g/mol
Exact Mass237.06
IUPAC Name(1-aminonaphthalen-2-yl)methylphosphonic acid
SMILESNc1c(CP(=O)(O)O)ccc2ccccc12
InChIInChI=1S/C11H12NO3P/c12-11-9(7-16(13,14)15)6-5-8-3-1-2-4-10(8)11/h1-6H,7,12H2,(H2,13,14,15)
InChIKeyAWJCWJVMGJUWEF-UHFFFAOYSA-N
XLogP2.10
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.20
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-aminonaphthalen-2-yl)methylphosphonic acid?
The IUPAC name of (1-aminonaphthalen-2-yl)methylphosphonic acid (CID 123265884) is (1-aminonaphthalen-2-yl)methylphosphonic acid.
What is the SMILES notation for (1-aminonaphthalen-2-yl)methylphosphonic acid?
The canonical SMILES for (1-aminonaphthalen-2-yl)methylphosphonic acid is Nc1c(CP(=O)(O)O)ccc2ccccc12.
What is the InChIKey of (1-aminonaphthalen-2-yl)methylphosphonic acid?
The InChIKey is AWJCWJVMGJUWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12NO3P/c12-11-9(7-16(13,14)15)6-5-8-3-1-2-4-10(8)11/h1-6H,7,12H2,(H2,13,14,15).
What are the key properties of (1-aminonaphthalen-2-yl)methylphosphonic acid?
(1-aminonaphthalen-2-yl)methylphosphonic acid has a molecular weight of 237.20 g/mol, XLogP of 2.10, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminonaphthalen-2-yl)methylphosphonic acid is sourced from PubChem (CID 123265884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).