(2-amino-5-methoxyphenyl) dihydrogen phosphate

C7H10NO5P — CID 123556762

IUPAC(2-amino-5-methoxyphenyl) dihydrogen phosphate
SMILESCOc1ccc(N)c(OP(=O)(O)O)c1
InChIInChI=1S/C7H10NO5P/c1-12-5-2-3-6(8)7(4-5)13-14(9,10)11/h2-4H,8H2,1H3,(H2,9,10,11)
InChIKeyDDMRQBBMFKXJTE-UHFFFAOYSA-N
MW219.13 g/mol
LogP0.75
Rot. Bonds3

About (2-amino-5-methoxyphenyl) dihydrogen phosphate

(2-amino-5-methoxyphenyl) dihydrogen phosphate (PubChem CID 123556762) has the molecular formula C7H10NO5P and a molecular weight of 219.13 g/mol. Its IUPAC name is (2-amino-5-methoxyphenyl) dihydrogen phosphate.

Molecular Properties

Compound Name(2-amino-5-methoxyphenyl) dihydrogen phosphate
PubChem CID123556762
Molecular FormulaC7H10NO5P
Molecular Weight219.13 g/mol
Exact Mass219.03
IUPAC Name(2-amino-5-methoxyphenyl) dihydrogen phosphate
SMILESCOc1ccc(N)c(OP(=O)(O)O)c1
InChIInChI=1S/C7H10NO5P/c1-12-5-2-3-6(8)7(4-5)13-14(9,10)11/h2-4H,8H2,1H3,(H2,9,10,11)
InChIKeyDDMRQBBMFKXJTE-UHFFFAOYSA-N
XLogP0.75
TPSA102.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.13
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethoxyaniline;sulfuric acid
CID 160678823
4-methoxy-2-trimethylsilyloxyaniline
CID 167737964
7-methoxy-3-phosphonooxynaphthalene-2-carboxylic acid
CID 20793163
2-(2-amino-5-methoxyphenoxy)-N-propan-2-ylpropanamide
CID 102702350
2-(3,4-dimethoxyphenoxy)-4-methoxyaniline
CID 123638335
3-(2-amino-5-methoxyphenoxy)propanoic acid
CID 102702334
2,4-dimethoxyaniline;3-oxobutanoic acid
CID 70522246
lithium;(2-aminophenyl) dihydrogen phosphate;hydride
CID 175194411
2-(2-amino-5-methoxyphenoxy)-N-tert-butylpropanamide
CID 102702269
(4-methoxyphenoxy)phosphonamidic acid
CID 121349218
5-(2-amino-5-methoxyphenoxy)pentan-1-ol
CID 102702306
2-amino-5-methoxybenzoic acid;hydrochloride
CID 15618229

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-methoxyphenyl) dihydrogen phosphate?
The IUPAC name of (2-amino-5-methoxyphenyl) dihydrogen phosphate (CID 123556762) is (2-amino-5-methoxyphenyl) dihydrogen phosphate.
What is the SMILES notation for (2-amino-5-methoxyphenyl) dihydrogen phosphate?
The canonical SMILES for (2-amino-5-methoxyphenyl) dihydrogen phosphate is COc1ccc(N)c(OP(=O)(O)O)c1.
What is the InChIKey of (2-amino-5-methoxyphenyl) dihydrogen phosphate?
The InChIKey is DDMRQBBMFKXJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10NO5P/c1-12-5-2-3-6(8)7(4-5)13-14(9,10)11/h2-4H,8H2,1H3,(H2,9,10,11).
What are the key properties of (2-amino-5-methoxyphenyl) dihydrogen phosphate?
(2-amino-5-methoxyphenyl) dihydrogen phosphate has a molecular weight of 219.13 g/mol, XLogP of 0.75, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-methoxyphenyl) dihydrogen phosphate is sourced from PubChem (CID 123556762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).