4-(2-aminoethyl)-2-ethylphenol

C10H15NO — CID 24748050

IUPAC4-(2-aminoethyl)-2-ethylphenol
SMILESCCc1cc(CCN)ccc1O
InChIInChI=1S/C10H15NO/c1-2-9-7-8(5-6-11)3-4-10(9)12/h3-4,7,12H,2,5-6,11H2,1H3
InChIKeyLDAFQVRTSOETPE-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.46
Rot. Bonds3

About 4-(2-aminoethyl)-2-ethylphenol

4-(2-aminoethyl)-2-ethylphenol (PubChem CID 24748050) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 4-(2-aminoethyl)-2-ethylphenol.

Molecular Properties

Compound Name4-(2-aminoethyl)-2-ethylphenol
PubChem CID24748050
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name4-(2-aminoethyl)-2-ethylphenol
SMILESCCc1cc(CCN)ccc1O
InChIInChI=1S/C10H15NO/c1-2-9-7-8(5-6-11)3-4-10(9)12/h3-4,7,12H,2,5-6,11H2,1H3
InChIKeyLDAFQVRTSOETPE-UHFFFAOYSA-N
XLogP1.46
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-2-ethylphenol?
The IUPAC name of 4-(2-aminoethyl)-2-ethylphenol (CID 24748050) is 4-(2-aminoethyl)-2-ethylphenol.
What is the SMILES notation for 4-(2-aminoethyl)-2-ethylphenol?
The canonical SMILES for 4-(2-aminoethyl)-2-ethylphenol is CCc1cc(CCN)ccc1O.
What is the InChIKey of 4-(2-aminoethyl)-2-ethylphenol?
The InChIKey is LDAFQVRTSOETPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-2-9-7-8(5-6-11)3-4-10(9)12/h3-4,7,12H,2,5-6,11H2,1H3.
What are the key properties of 4-(2-aminoethyl)-2-ethylphenol?
4-(2-aminoethyl)-2-ethylphenol has a molecular weight of 165.24 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-2-ethylphenol is sourced from PubChem (CID 24748050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).