ethyl(phenyl)azanium hydroxide

C8H13NO — CID 19786088

IUPACethyl(phenyl)azanium hydroxide
SMILESCC[NH2+]c1ccccc1.[OH-]
InChIInChI=1S/C8H11N.H2O/c1-2-9-8-6-4-3-5-7-8;/h3-7,9H,2H2,1H3;1H2
InChIKeyLFXVBXHKLZYVGS-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.72
Rot. Bonds2

About ethyl(phenyl)azanium hydroxide

ethyl(phenyl)azanium hydroxide (PubChem CID 19786088) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is ethyl(phenyl)azanium hydroxide.

Molecular Properties

Compound Nameethyl(phenyl)azanium hydroxide
PubChem CID19786088
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Nameethyl(phenyl)azanium hydroxide
SMILESCC[NH2+]c1ccccc1.[OH-]
InChIInChI=1S/C8H11N.H2O/c1-2-9-8-6-4-3-5-7-8;/h3-7,9H,2H2,1H3;1H2
InChIKeyLFXVBXHKLZYVGS-UHFFFAOYSA-N
XLogP0.72
TPSA46.61 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethylpropyl(phenyl)azanium chloride
CID 121302538
benzyl(phenyl)azanium bromide
CID 173449870
bis[2-(phenylazaniumyl)ethyl]azanium trichloride
CID 11349076
methyl(phenyl)azanium bromide
CID 67931495
N-diphenylgallanylethanamine
CID 177465161
benzene;propane;toluene
CID 91053661
propane;toluene
CID 91263172
propane;toluene
CID 91364516
ethylcyclodecapentaene
CID 90861705
CID 19876403
CID 19876403
diethyl(diphenyl)phosphanium hydroxide
CID 18407746
triethyl(phenyl)azanium hydroxide
CID 2735149

Frequently Asked Questions

What is the IUPAC name of ethyl(phenyl)azanium hydroxide?
The IUPAC name of ethyl(phenyl)azanium hydroxide (CID 19786088) is ethyl(phenyl)azanium hydroxide.
What is the SMILES notation for ethyl(phenyl)azanium hydroxide?
The canonical SMILES for ethyl(phenyl)azanium hydroxide is CC[NH2+]c1ccccc1.[OH-].
What is the InChIKey of ethyl(phenyl)azanium hydroxide?
The InChIKey is LFXVBXHKLZYVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.H2O/c1-2-9-8-6-4-3-5-7-8;/h3-7,9H,2H2,1H3;1H2.
What are the key properties of ethyl(phenyl)azanium hydroxide?
ethyl(phenyl)azanium hydroxide has a molecular weight of 139.20 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(phenyl)azanium hydroxide is sourced from PubChem (CID 19786088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).