1-(5-amino-2-ethylphenyl)ethanol;ethane

C12H21NO — CID 143497914

IUPAC1-(5-amino-2-ethylphenyl)ethanol;ethane
SMILESCC.CCc1ccc(N)cc1C(C)O
InChIInChI=1S/C10H15NO.C2H6/c1-3-8-4-5-9(11)6-10(8)7(2)12;1-2/h4-7,12H,3,11H2,1-2H3;1-2H3
InChIKeyMMBOOUBDNCMYQC-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.91
Rot. Bonds2

About 1-(5-amino-2-ethylphenyl)ethanol;ethane

1-(5-amino-2-ethylphenyl)ethanol;ethane (PubChem CID 143497914) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(5-amino-2-ethylphenyl)ethanol;ethane.

Molecular Properties

Compound Name1-(5-amino-2-ethylphenyl)ethanol;ethane
PubChem CID143497914
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-(5-amino-2-ethylphenyl)ethanol;ethane
SMILESCC.CCc1ccc(N)cc1C(C)O
InChIInChI=1S/C10H15NO.C2H6/c1-3-8-4-5-9(11)6-10(8)7(2)12;1-2/h4-7,12H,3,11H2,1-2H3;1-2H3
InChIKeyMMBOOUBDNCMYQC-UHFFFAOYSA-N
XLogP2.91
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.91
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 1-(5-amino-2-ethylphenyl)ethanol;ethane?
The IUPAC name of 1-(5-amino-2-ethylphenyl)ethanol;ethane (CID 143497914) is 1-(5-amino-2-ethylphenyl)ethanol;ethane.
What is the SMILES notation for 1-(5-amino-2-ethylphenyl)ethanol;ethane?
The canonical SMILES for 1-(5-amino-2-ethylphenyl)ethanol;ethane is CC.CCc1ccc(N)cc1C(C)O.
What is the InChIKey of 1-(5-amino-2-ethylphenyl)ethanol;ethane?
The InChIKey is MMBOOUBDNCMYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.C2H6/c1-3-8-4-5-9(11)6-10(8)7(2)12;1-2/h4-7,12H,3,11H2,1-2H3;1-2H3.
What are the key properties of 1-(5-amino-2-ethylphenyl)ethanol;ethane?
1-(5-amino-2-ethylphenyl)ethanol;ethane has a molecular weight of 195.31 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-ethylphenyl)ethanol;ethane is sourced from PubChem (CID 143497914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).