(2-amino-3-methylphenyl)phosphonic acid

C7H10NO3P — CID 19089383

IUPAC(2-amino-3-methylphenyl)phosphonic acid
SMILESCc1cccc(P(=O)(O)O)c1N
InChIInChI=1S/C7H10NO3P/c1-5-3-2-4-6(7(5)8)12(9,10)11/h2-4H,8H2,1H3,(H2,9,10,11)
InChIKeyPNCGQKZJRDLWAG-UHFFFAOYSA-N
MW187.14 g/mol
LogP0.38
Rot. Bonds1

About (2-amino-3-methylphenyl)phosphonic acid

(2-amino-3-methylphenyl)phosphonic acid (PubChem CID 19089383) has the molecular formula C7H10NO3P and a molecular weight of 187.14 g/mol. Its IUPAC name is (2-amino-3-methylphenyl)phosphonic acid.

Molecular Properties

Compound Name(2-amino-3-methylphenyl)phosphonic acid
PubChem CID19089383
Molecular FormulaC7H10NO3P
Molecular Weight187.14 g/mol
Exact Mass187.04
IUPAC Name(2-amino-3-methylphenyl)phosphonic acid
SMILESCc1cccc(P(=O)(O)O)c1N
InChIInChI=1S/C7H10NO3P/c1-5-3-2-4-6(7(5)8)12(9,10)11/h2-4H,8H2,1H3,(H2,9,10,11)
InChIKeyPNCGQKZJRDLWAG-UHFFFAOYSA-N
XLogP0.38
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.14
LogP ≤ 50.38
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-methylphenyl)phosphonic acid;dihydrochloride
CID 70471914
2-diethoxyphosphoryl-6-methylaniline
CID 54543104
(2-hydroxy-3-phosphonophenyl)phosphonic acid
CID 13318949
phosphoric acid;tris(1,2,3-trimethylbenzene)
CID 175926272
methanol;3-methylbenzene-1,2-diamine
CID 174839717
(2-aminophenyl)phosphonic acid;butane
CID 90117924
dichloroiron;2,6-dimethylaniline
CID 175869472
3-methylbenzene-1,2-diamine
CID 162019775
(3-amino-5-phosphononaphthalen-1-yl)phosphonic acid
CID 54467399
1-bis(2,3-dimethylphenyl)phosphoryl-2,3-dimethylbenzene
CID 118862460
2-amino-3-methylbenzoic acid;azane
CID 69400013
2,6-dimethylaniline;2-methylaniline
CID 160714609

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-methylphenyl)phosphonic acid?
The IUPAC name of (2-amino-3-methylphenyl)phosphonic acid (CID 19089383) is (2-amino-3-methylphenyl)phosphonic acid.
What is the SMILES notation for (2-amino-3-methylphenyl)phosphonic acid?
The canonical SMILES for (2-amino-3-methylphenyl)phosphonic acid is Cc1cccc(P(=O)(O)O)c1N.
What is the InChIKey of (2-amino-3-methylphenyl)phosphonic acid?
The InChIKey is PNCGQKZJRDLWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10NO3P/c1-5-3-2-4-6(7(5)8)12(9,10)11/h2-4H,8H2,1H3,(H2,9,10,11).
What are the key properties of (2-amino-3-methylphenyl)phosphonic acid?
(2-amino-3-methylphenyl)phosphonic acid has a molecular weight of 187.14 g/mol, XLogP of 0.38, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-methylphenyl)phosphonic acid is sourced from PubChem (CID 19089383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).