aniline;ethanol

C8H13NO — CID 22137766

IUPACaniline;ethanol
SMILESCCO.Nc1ccccc1
InChIInChI=1S/C6H7N.C2H6O/c7-6-4-2-1-3-5-6;1-2-3/h1-5H,7H2;3H,2H2,1H3
InChIKeyGQZYJXVNALEKLC-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.27
Rot. Bonds

About aniline;ethanol

aniline;ethanol (PubChem CID 22137766) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is aniline;ethanol.

Molecular Properties

Compound Nameaniline;ethanol
PubChem CID22137766
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Nameaniline;ethanol
SMILESCCO.Nc1ccccc1
InChIInChI=1S/C6H7N.C2H6O/c7-6-4-2-1-3-5-6;1-2-3/h1-5H,7H2;3H,2H2,1H3
InChIKeyGQZYJXVNALEKLC-UHFFFAOYSA-N
XLogP1.27
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of aniline;ethanol?
The IUPAC name of aniline;ethanol (CID 22137766) is aniline;ethanol.
What is the SMILES notation for aniline;ethanol?
The canonical SMILES for aniline;ethanol is CCO.Nc1ccccc1.
What is the InChIKey of aniline;ethanol?
The InChIKey is GQZYJXVNALEKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.C2H6O/c7-6-4-2-1-3-5-6;1-2-3/h1-5H,7H2;3H,2H2,1H3.
What are the key properties of aniline;ethanol?
aniline;ethanol has a molecular weight of 139.20 g/mol, XLogP of 1.27, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;ethanol is sourced from PubChem (CID 22137766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).