2-amino-1-(4-cyclopropylphenyl)ethanol

C11H15NO — CID 79984821

IUPAC2-amino-1-(4-cyclopropylphenyl)ethanol
SMILESNCC(O)c1ccc(C2CC2)cc1
InChIInChI=1S/C11H15NO/c12-7-11(13)10-5-3-9(4-6-10)8-1-2-8/h3-6,8,11,13H,1-2,7,12H2
InChIKeyPLQNEVCXLNKNIZ-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.56
Rot. Bonds3

About 2-amino-1-(4-cyclopropylphenyl)ethanol

2-amino-1-(4-cyclopropylphenyl)ethanol (PubChem CID 79984821) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-amino-1-(4-cyclopropylphenyl)ethanol.

Molecular Properties

Compound Name2-amino-1-(4-cyclopropylphenyl)ethanol
PubChem CID79984821
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2-amino-1-(4-cyclopropylphenyl)ethanol
SMILESNCC(O)c1ccc(C2CC2)cc1
InChIInChI=1S/C11H15NO/c12-7-11(13)10-5-3-9(4-6-10)8-1-2-8/h3-6,8,11,13H,1-2,7,12H2
InChIKeyPLQNEVCXLNKNIZ-UHFFFAOYSA-N
XLogP1.56
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-cyclopropylphenyl)ethanol?
The IUPAC name of 2-amino-1-(4-cyclopropylphenyl)ethanol (CID 79984821) is 2-amino-1-(4-cyclopropylphenyl)ethanol.
What is the SMILES notation for 2-amino-1-(4-cyclopropylphenyl)ethanol?
The canonical SMILES for 2-amino-1-(4-cyclopropylphenyl)ethanol is NCC(O)c1ccc(C2CC2)cc1.
What is the InChIKey of 2-amino-1-(4-cyclopropylphenyl)ethanol?
The InChIKey is PLQNEVCXLNKNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c12-7-11(13)10-5-3-9(4-6-10)8-1-2-8/h3-6,8,11,13H,1-2,7,12H2.
What are the key properties of 2-amino-1-(4-cyclopropylphenyl)ethanol?
2-amino-1-(4-cyclopropylphenyl)ethanol has a molecular weight of 177.25 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-cyclopropylphenyl)ethanol is sourced from PubChem (CID 79984821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).