2-aminophenol;ethane;methane

C9H17NO — CID 158189798

IUPAC2-aminophenol;ethane;methane
SMILESC.CC.Nc1ccccc1O
InChIInChI=1S/C6H7NO.C2H6.CH4/c7-5-3-1-2-4-6(5)8;1-2;/h1-4,8H,7H2;1-2H3;1H4
InChIKeyFZPJENPGLCOMKU-UHFFFAOYSA-N
MW155.24 g/mol
LogP2.64
Rot. Bonds

About 2-aminophenol;ethane;methane

2-aminophenol;ethane;methane (PubChem CID 158189798) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-aminophenol;ethane;methane.

Molecular Properties

Compound Name2-aminophenol;ethane;methane
PubChem CID158189798
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-aminophenol;ethane;methane
SMILESC.CC.Nc1ccccc1O
InChIInChI=1S/C6H7NO.C2H6.CH4/c7-5-3-1-2-4-6(5)8;1-2;/h1-4,8H,7H2;1-2H3;1H4
InChIKeyFZPJENPGLCOMKU-UHFFFAOYSA-N
XLogP2.64
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

sodium 2-aminophenol
CID 18764426
2-aminophenol;azane
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CID 175422466
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2-aminophenol;diphenylborinic acid
CID 68945531
2-aminobenzoic acid;2-aminophenol
CID 23062986
3-amino-2-fluorophenol;ethane
CID 155586440
1-(2-amino-3-hydroxyphenyl)ethanone;2-aminophenol
CID 174453955
benzene-1,2-diol;methanamine
CID 159187656
bis(benzene-1,2-diol);methane
CID 158804248
benzene-1,2-diamine;hydrogen peroxide;hydrochloride
CID 175004407
3-amino-2-methylphenol;hydrate
CID 175262808

Frequently Asked Questions

What is the IUPAC name of 2-aminophenol;ethane;methane?
The IUPAC name of 2-aminophenol;ethane;methane (CID 158189798) is 2-aminophenol;ethane;methane.
What is the SMILES notation for 2-aminophenol;ethane;methane?
The canonical SMILES for 2-aminophenol;ethane;methane is C.CC.Nc1ccccc1O.
What is the InChIKey of 2-aminophenol;ethane;methane?
The InChIKey is FZPJENPGLCOMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO.C2H6.CH4/c7-5-3-1-2-4-6(5)8;1-2;/h1-4,8H,7H2;1-2H3;1H4.
What are the key properties of 2-aminophenol;ethane;methane?
2-aminophenol;ethane;methane has a molecular weight of 155.24 g/mol, XLogP of 2.64, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminophenol;ethane;methane is sourced from PubChem (CID 158189798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).