1-anilinoethanol;hydrate

C8H13NO2 — CID 173450384

IUPAC1-anilinoethanol;hydrate
SMILESCC(O)Nc1ccccc1.O
InChIInChI=1S/C8H11NO.H2O/c1-7(10)9-8-5-3-2-4-6-8;/h2-7,9-10H,1H3;1H2
InChIKeyGIQGXUKVZGJAHU-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.61
Rot. Bonds2

About 1-anilinoethanol;hydrate

1-anilinoethanol;hydrate (PubChem CID 173450384) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-anilinoethanol;hydrate.

Molecular Properties

Compound Name1-anilinoethanol;hydrate
PubChem CID173450384
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name1-anilinoethanol;hydrate
SMILESCC(O)Nc1ccccc1.O
InChIInChI=1S/C8H11NO.H2O/c1-7(10)9-8-5-3-2-4-6-8;/h2-7,9-10H,1H3;1H2
InChIKeyGIQGXUKVZGJAHU-UHFFFAOYSA-N
XLogP0.61
TPSA63.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-anilinobutan-2-ol
CID 13494330
(1S,2S)-1-anilino-1-phenylpropan-2-ol
CID 166445226
1-N-methyl-1-N'-phenylethane-1,1-diamine
CID 88759522
2-anilinopropanoic acid;hydrochloride
CID 19096756
1-(3-ethylanilino)ethanol
CID 174601913
2-anilinopropanoate
CID 19754798
(2R)-2-anilinopropanoate
CID 6946450
(2S)-2-anilinopropanethioic S-acid
CID 87999378
1-anilinoethanolate;zirconium(3+);dichloride
CID 174375257
(2S)-2-anilino-N-tert-butylpropanamide
CID 28840351
1-anilino-3-imino-2-methylpropan-1-ol
CID 163682971
(2S)-2-anilino-3-methylbutanoic acid;hydrochloride
CID 70534488

Frequently Asked Questions

What is the IUPAC name of 1-anilinoethanol;hydrate?
The IUPAC name of 1-anilinoethanol;hydrate (CID 173450384) is 1-anilinoethanol;hydrate.
What is the SMILES notation for 1-anilinoethanol;hydrate?
The canonical SMILES for 1-anilinoethanol;hydrate is CC(O)Nc1ccccc1.O.
What is the InChIKey of 1-anilinoethanol;hydrate?
The InChIKey is GIQGXUKVZGJAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO.H2O/c1-7(10)9-8-5-3-2-4-6-8;/h2-7,9-10H,1H3;1H2.
What are the key properties of 1-anilinoethanol;hydrate?
1-anilinoethanol;hydrate has a molecular weight of 155.20 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilinoethanol;hydrate is sourced from PubChem (CID 173450384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).