1-amino-2-[4-(2-amino-2-hydroxyethyl)phenyl]ethanol;sulfuric acid

C10H18N2O6S — CID 70151097

IUPAC1-amino-2-[4-(2-amino-2-hydroxyethyl)phenyl]ethanol;sulfuric acid
SMILESNC(O)Cc1ccc(CC(N)O)cc1.O=S(=O)(O)O
InChIInChI=1S/C10H16N2O2.H2O4S/c11-9(13)5-7-1-2-8(4-3-7)6-10(12)14;1-5(2,3)4/h1-4,9-10,13-14H,5-6,11-12H2;(H2,1,2,3,4)
InChIKeyFLCJWYRZSMADIH-UHFFFAOYSA-N
MW294.33 g/mol
LogP-1.33
Rot. Bonds4

About 1-amino-2-[4-(2-amino-2-hydroxyethyl)phenyl]ethanol;sulfuric acid

1-amino-2-[4-(2-amino-2-hydroxyethyl)phenyl]ethanol;sulfuric acid (PubChem CID 70151097) has the molecular formula C10H18N2O6S and a molecular weight of 294.33 g/mol. Its IUPAC name is 1-amino-2-[4-(2-amino-2-hydroxyethyl)phenyl]ethanol;sulfuric acid.

Molecular Properties

Compound Name1-amino-2-[4-(2-amino-2-hydroxyethyl)phenyl]ethanol;sulfuric acid
PubChem CID70151097
Molecular FormulaC10H18N2O6S
Molecular Weight294.33 g/mol
Exact Mass294.09
IUPAC Name1-amino-2-[4-(2-amino-2-hydroxyethyl)phenyl]ethanol;sulfuric acid
SMILESNC(O)Cc1ccc(CC(N)O)cc1.O=S(=O)(O)O
InChIInChI=1S/C10H16N2O2.H2O4S/c11-9(13)5-7-1-2-8(4-3-7)6-10(12)14;1-5(2,3)4/h1-4,9-10,13-14H,5-6,11-12H2;(H2,1,2,3,4)
InChIKeyFLCJWYRZSMADIH-UHFFFAOYSA-N
XLogP-1.33
TPSA167.10 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.33
LogP ≤ 5-1.33
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2-amino-2-hydroxyethyl)phenyl]acetonitrile
CID 70614226
λ2-plumbane;bis((2S)-1-phenylpropan-2-amine);sulfuric acid
CID 173242520
2-amino-3-(4-hydroxyphenyl)propanoic acid;sulfuric acid;hydrofluoride
CID 175411627
4-(2-amino-2-hydroxyethyl)benzene-1,2-diol;hydrobromide
CID 69301121
(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropane-1-sulfonic acid
CID 130230132
1-(3,4-dimethylphenyl)propan-2-amine;sulfuric acid
CID 23619205
methanesulfonic acid;1-phenylpropan-2-amine
CID 173025540
methanesulfonic acid;(2S)-1-phenylpropan-2-amine
CID 87182702
1-amino-2-[3-(difluoromethyl)-4-fluorophenyl]ethanol
CID 162541274
2-[4-(aminomethyl)phenyl]ethane-1,1,2-triol;azane;sulfuric acid
CID 175160990
2-(4-sulfophenyl)ethane-1,1-disulfonic acid
CID 57097391
acetyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 22287971

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[4-(2-amino-2-hydroxyethyl)phenyl]ethanol;sulfuric acid?
The IUPAC name of 1-amino-2-[4-(2-amino-2-hydroxyethyl)phenyl]ethanol;sulfuric acid (CID 70151097) is 1-amino-2-[4-(2-amino-2-hydroxyethyl)phenyl]ethanol;sulfuric acid.
What is the SMILES notation for 1-amino-2-[4-(2-amino-2-hydroxyethyl)phenyl]ethanol;sulfuric acid?
The canonical SMILES for 1-amino-2-[4-(2-amino-2-hydroxyethyl)phenyl]ethanol;sulfuric acid is NC(O)Cc1ccc(CC(N)O)cc1.O=S(=O)(O)O.
What is the InChIKey of 1-amino-2-[4-(2-amino-2-hydroxyethyl)phenyl]ethanol;sulfuric acid?
The InChIKey is FLCJWYRZSMADIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2.H2O4S/c11-9(13)5-7-1-2-8(4-3-7)6-10(12)14;1-5(2,3)4/h1-4,9-10,13-14H,5-6,11-12H2;(H2,1,2,3,4).
What are the key properties of 1-amino-2-[4-(2-amino-2-hydroxyethyl)phenyl]ethanol;sulfuric acid?
1-amino-2-[4-(2-amino-2-hydroxyethyl)phenyl]ethanol;sulfuric acid has a molecular weight of 294.33 g/mol, XLogP of -1.33, 4 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[4-(2-amino-2-hydroxyethyl)phenyl]ethanol;sulfuric acid is sourced from PubChem (CID 70151097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).