(3-aminophenyl)methylphosphonic acid

C7H10NO3P — CID 15930816

IUPAC(3-aminophenyl)methylphosphonic acid
SMILESNc1cccc(CP(=O)(O)O)c1
InChIInChI=1S/C7H10NO3P/c8-7-3-1-2-6(4-7)5-12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)
InChIKeyKYSQEYOQLJTLLO-UHFFFAOYSA-N
MW187.14 g/mol
LogP0.95
Rot. Bonds2

About (3-aminophenyl)methylphosphonic acid

(3-aminophenyl)methylphosphonic acid (PubChem CID 15930816) has the molecular formula C7H10NO3P and a molecular weight of 187.14 g/mol. Its IUPAC name is (3-aminophenyl)methylphosphonic acid.

Molecular Properties

Compound Name(3-aminophenyl)methylphosphonic acid
PubChem CID15930816
Molecular FormulaC7H10NO3P
Molecular Weight187.14 g/mol
Exact Mass187.04
IUPAC Name(3-aminophenyl)methylphosphonic acid
SMILESNc1cccc(CP(=O)(O)O)c1
InChIInChI=1S/C7H10NO3P/c8-7-3-1-2-6(4-7)5-12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)
InChIKeyKYSQEYOQLJTLLO-UHFFFAOYSA-N
XLogP0.95
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.14
LogP ≤ 50.95
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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Related Compounds

2-(3-aminophenyl)ethylphosphonic acid
CID 162391704
[4-(aminomethyl)phenyl]methylphosphonic acid
CID 67458029
2-(3-aminophenyl)-N-propylacetamide
CID 28689659
2-[(3-aminophenyl)methyl-(carboxymethyl)amino]acetic acid
CID 21460485
naphthalen-2-ylmethylphosphonic acid
CID 3696145
(3-aminophenyl)methanesulfinic acid
CID 19043009
3-(aminomethyl)aniline;dihydrochloride
CID 23346995
3-(chloromethyl)aniline
CID 18329590
(3-aminophenyl)methylboronic acid
CID 154013058
3-(3-aminophenyl)propan-1-ol
CID 10103334
1-(3-aminophenyl)-3-(3-hydroxyphenyl)propan-2-one
CID 116577080
2-(3-aminophenyl)acetic acid;propanoic acid
CID 175479045

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)methylphosphonic acid?
The IUPAC name of (3-aminophenyl)methylphosphonic acid (CID 15930816) is (3-aminophenyl)methylphosphonic acid.
What is the SMILES notation for (3-aminophenyl)methylphosphonic acid?
The canonical SMILES for (3-aminophenyl)methylphosphonic acid is Nc1cccc(CP(=O)(O)O)c1.
What is the InChIKey of (3-aminophenyl)methylphosphonic acid?
The InChIKey is KYSQEYOQLJTLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10NO3P/c8-7-3-1-2-6(4-7)5-12(9,10)11/h1-4H,5,8H2,(H2,9,10,11).
What are the key properties of (3-aminophenyl)methylphosphonic acid?
(3-aminophenyl)methylphosphonic acid has a molecular weight of 187.14 g/mol, XLogP of 0.95, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)methylphosphonic acid is sourced from PubChem (CID 15930816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).