4-(2-aminoethyl)phenol;phosphoric acid

C8H14NO5P — CID 3029836

IUPAC4-(2-aminoethyl)phenol;phosphoric acid
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)
InChIKeyMUPIJBRZGOUZNY-UHFFFAOYSA-N
MW235.18 g/mol
LogP-0.04
Rot. Bonds2

About 4-(2-aminoethyl)phenol;phosphoric acid

4-(2-aminoethyl)phenol;phosphoric acid (PubChem CID 3029836) has the molecular formula C8H14NO5P and a molecular weight of 235.18 g/mol. Its IUPAC name is 4-(2-aminoethyl)phenol;phosphoric acid.

Molecular Properties

Compound Name4-(2-aminoethyl)phenol;phosphoric acid
PubChem CID3029836
Molecular FormulaC8H14NO5P
Molecular Weight235.18 g/mol
Exact Mass235.06
IUPAC Name4-(2-aminoethyl)phenol;phosphoric acid
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)
InChIKeyMUPIJBRZGOUZNY-UHFFFAOYSA-N
XLogP-0.04
TPSA124.01 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.18
LogP ≤ 5-0.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-aminoethyl)phenol phosphate
CID 6366959
2-[4-(2-aminoethyl)phenyl]ethylphosphonic acid
CID 177244473
benzene-1,4-diol;phosphoric acid
CID 87092335
4-(3-aminopropyl)phenol
CID 4574248
2-[4-(2-aminoethyl)phenyl]ethanamine;hydroiodide
CID 175484243
2-[4-(2-aminoethyl)phenyl]ethanamine;hydrochloride
CID 68536204
tris(4-nonylphenol);phosphoric acid
CID 71361187
4-(2-aminoethyl)phenol;2-ethoxyethanamine
CID 70105450
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
4-(2-aminoethyl)-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide
CID 107734191
2-[4-(2-aminoethyl)phenyl]acetamide
CID 70268423

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)phenol;phosphoric acid?
The IUPAC name of 4-(2-aminoethyl)phenol;phosphoric acid (CID 3029836) is 4-(2-aminoethyl)phenol;phosphoric acid.
What is the SMILES notation for 4-(2-aminoethyl)phenol;phosphoric acid?
The canonical SMILES for 4-(2-aminoethyl)phenol;phosphoric acid is NCCc1ccc(O)cc1.O=P(O)(O)O.
What is the InChIKey of 4-(2-aminoethyl)phenol;phosphoric acid?
The InChIKey is MUPIJBRZGOUZNY-UHFFFAOYSA-N. 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).
What are the key properties of 4-(2-aminoethyl)phenol;phosphoric acid?
4-(2-aminoethyl)phenol;phosphoric acid has a molecular weight of 235.18 g/mol, XLogP of -0.04, 2 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)phenol;phosphoric acid is sourced from PubChem (CID 3029836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).