2-(3-amino-5-methoxyphenoxy)ethyl dihydrogen phosphate

C9H14NO6P — CID 131964251

IUPAC2-(3-amino-5-methoxyphenoxy)ethyl dihydrogen phosphate
SMILESCOc1cc(N)cc(OCCOP(=O)(O)O)c1
InChIInChI=1S/C9H14NO6P/c1-14-8-4-7(10)5-9(6-8)15-2-3-16-17(11,12)13/h4-6H,2-3,10H2,1H3,(H2,11,12,13)
InChIKeyAZVAODJRHZYCAK-UHFFFAOYSA-N
MW263.19 g/mol
LogP0.77
Rot. Bonds6

About 2-(3-amino-5-methoxyphenoxy)ethyl dihydrogen phosphate

2-(3-amino-5-methoxyphenoxy)ethyl dihydrogen phosphate (PubChem CID 131964251) has the molecular formula C9H14NO6P and a molecular weight of 263.19 g/mol. Its IUPAC name is 2-(3-amino-5-methoxyphenoxy)ethyl dihydrogen phosphate.

Molecular Properties

Compound Name2-(3-amino-5-methoxyphenoxy)ethyl dihydrogen phosphate
PubChem CID131964251
Molecular FormulaC9H14NO6P
Molecular Weight263.19 g/mol
Exact Mass263.06
IUPAC Name2-(3-amino-5-methoxyphenoxy)ethyl dihydrogen phosphate
SMILESCOc1cc(N)cc(OCCOP(=O)(O)O)c1
InChIInChI=1S/C9H14NO6P/c1-14-8-4-7(10)5-9(6-8)15-2-3-16-17(11,12)13/h4-6H,2-3,10H2,1H3,(H2,11,12,13)
InChIKeyAZVAODJRHZYCAK-UHFFFAOYSA-N
XLogP0.77
TPSA111.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.19
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[3-amino-5-(2-methoxyethoxy)phenyl]ethanone
CID 88985945
2-(4-hydroxy-3-methoxyphenoxy)ethyl dihydrogen phosphate
CID 67374454
3-[2-(diethylamino)ethoxy]-5-methoxyaniline
CID 80748413
1-methoxy-3-(2-methoxyethoxy)-5-methylbenzene
CID 59177626
3-bromo-5-(2-methoxyethoxy)aniline
CID 103588174
3-(cyclopropylmethoxy)-5-methoxyaniline
CID 80748394
1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-(2-methoxyethyl)urea
CID 112975608
3-bromo-5-[2-(4-methoxyphenoxy)ethoxy]aniline
CID 103588250
methyl 5-[2-(3-amino-5-methoxyphenoxy)ethoxymethyl]thiophene-2-carboxylate
CID 131984954
3-butoxy-5-methoxyaniline;tert-butyl formate
CID 142476990
3-dimethylphosphoryl-5-methoxyaniline
CID 118168433
1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-propylurea
CID 112975595

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-methoxyphenoxy)ethyl dihydrogen phosphate?
The IUPAC name of 2-(3-amino-5-methoxyphenoxy)ethyl dihydrogen phosphate (CID 131964251) is 2-(3-amino-5-methoxyphenoxy)ethyl dihydrogen phosphate.
What is the SMILES notation for 2-(3-amino-5-methoxyphenoxy)ethyl dihydrogen phosphate?
The canonical SMILES for 2-(3-amino-5-methoxyphenoxy)ethyl dihydrogen phosphate is COc1cc(N)cc(OCCOP(=O)(O)O)c1.
What is the InChIKey of 2-(3-amino-5-methoxyphenoxy)ethyl dihydrogen phosphate?
The InChIKey is AZVAODJRHZYCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14NO6P/c1-14-8-4-7(10)5-9(6-8)15-2-3-16-17(11,12)13/h4-6H,2-3,10H2,1H3,(H2,11,12,13).
What are the key properties of 2-(3-amino-5-methoxyphenoxy)ethyl dihydrogen phosphate?
2-(3-amino-5-methoxyphenoxy)ethyl dihydrogen phosphate has a molecular weight of 263.19 g/mol, XLogP of 0.77, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-5-methoxyphenoxy)ethyl dihydrogen phosphate is sourced from PubChem (CID 131964251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).