4-(2-aminoethyl)phenol phosphate

C8H11NO5P-3 — CID 6366959

IUPAC4-(2-aminoethyl)phenol phosphate
SMILESNCCc1ccc(O)cc1.O=P([O-])([O-])[O-]
InChIInChI=1S/C8H11NO.H3O4P/c9-6-5-7-1-3-8(10)4-2-7;1-5(2,3)4/h1-4,10H,5-6,9H2;(H3,1,2,3,4)/p-3
InChIKeyMUPIJBRZGOUZNY-UHFFFAOYSA-K
MW232.15 g/mol
LogP-1.93
Rot. Bonds2

About 4-(2-aminoethyl)phenol phosphate

4-(2-aminoethyl)phenol phosphate (PubChem CID 6366959) has the molecular formula C8H11NO5P-3 and a molecular weight of 232.15 g/mol. Its IUPAC name is 4-(2-aminoethyl)phenol phosphate.

Molecular Properties

Compound Name4-(2-aminoethyl)phenol phosphate
PubChem CID6366959
Molecular FormulaC8H11NO5P-3
Molecular Weight232.15 g/mol
Exact Mass232.04
IUPAC Name4-(2-aminoethyl)phenol phosphate
SMILESNCCc1ccc(O)cc1.O=P([O-])([O-])[O-]
InChIInChI=1S/C8H11NO.H3O4P/c9-6-5-7-1-3-8(10)4-2-7;1-5(2,3)4/h1-4,10H,5-6,9H2;(H3,1,2,3,4)/p-3
InChIKeyMUPIJBRZGOUZNY-UHFFFAOYSA-K
XLogP-1.93
TPSA132.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.15
LogP ≤ 5-1.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(2-aminoethyl)phenol;phosphoric acid
CID 3029836
4-(3-aminopropyl)phenol
CID 4574248
2-[4-(2-aminoethyl)phenyl]ethylphosphonic acid
CID 177244473
2-[4-(2-aminoethyl)phenyl]ethanamine;hydroiodide
CID 175484243
2-[4-(2-aminoethyl)phenyl]ethanamine;hydrochloride
CID 68536204
4-(2-aminoethyl)-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide
CID 107734191
4-(2-aminoethyl)phenol;2-ethoxyethanamine
CID 70105450
4-[11-(4-hydroxyphenyl)undecyl]phenol
CID 23191182
4-(3-fluoropropyl)phenol
CID 68765958
4-(2-aminoethyl)aniline;4-(2-aminoethyl)phenol;2-(4-methoxyphenyl)ethanamine
CID 70275717
4-(2-aminoethyl)phenol;N,N'-di(propan-2-yl)methanediimine
CID 131740920
trisodium;bis(3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one);phosphate
CID 70567551

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)phenol phosphate?
The IUPAC name of 4-(2-aminoethyl)phenol phosphate (CID 6366959) is 4-(2-aminoethyl)phenol phosphate.
What is the SMILES notation for 4-(2-aminoethyl)phenol phosphate?
The canonical SMILES for 4-(2-aminoethyl)phenol phosphate is NCCc1ccc(O)cc1.O=P([O-])([O-])[O-].
What is the InChIKey of 4-(2-aminoethyl)phenol phosphate?
The InChIKey is MUPIJBRZGOUZNY-UHFFFAOYSA-K. The full InChI is InChI=1S/C8H11NO.H3O4P/c9-6-5-7-1-3-8(10)4-2-7;1-5(2,3)4/h1-4,10H,5-6,9H2;(H3,1,2,3,4)/p-3.
What are the key properties of 4-(2-aminoethyl)phenol phosphate?
4-(2-aminoethyl)phenol phosphate has a molecular weight of 232.15 g/mol, XLogP of -1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)phenol phosphate is sourced from PubChem (CID 6366959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).