2-amino-1-(4-propan-2-yloxyphenyl)ethanol

C11H17NO2 — CID 54593897

IUPAC2-amino-1-(4-propan-2-yloxyphenyl)ethanol
SMILESCC(C)Oc1ccc(C(O)CN)cc1
InChIInChI=1S/C11H17NO2/c1-8(2)14-10-5-3-9(4-6-10)11(13)7-12/h3-6,8,11,13H,7,12H2,1-2H3
InChIKeyQWXSKTDBYAVWAF-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.47
Rot. Bonds4

About 2-amino-1-(4-propan-2-yloxyphenyl)ethanol

2-amino-1-(4-propan-2-yloxyphenyl)ethanol (PubChem CID 54593897) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-amino-1-(4-propan-2-yloxyphenyl)ethanol.

Molecular Properties

Compound Name2-amino-1-(4-propan-2-yloxyphenyl)ethanol
PubChem CID54593897
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-amino-1-(4-propan-2-yloxyphenyl)ethanol
SMILESCC(C)Oc1ccc(C(O)CN)cc1
InChIInChI=1S/C11H17NO2/c1-8(2)14-10-5-3-9(4-6-10)11(13)7-12/h3-6,8,11,13H,7,12H2,1-2H3
InChIKeyQWXSKTDBYAVWAF-UHFFFAOYSA-N
XLogP1.47
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-propan-2-yloxyphenyl)ethanol?
The IUPAC name of 2-amino-1-(4-propan-2-yloxyphenyl)ethanol (CID 54593897) is 2-amino-1-(4-propan-2-yloxyphenyl)ethanol.
What is the SMILES notation for 2-amino-1-(4-propan-2-yloxyphenyl)ethanol?
The canonical SMILES for 2-amino-1-(4-propan-2-yloxyphenyl)ethanol is CC(C)Oc1ccc(C(O)CN)cc1.
What is the InChIKey of 2-amino-1-(4-propan-2-yloxyphenyl)ethanol?
The InChIKey is QWXSKTDBYAVWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-8(2)14-10-5-3-9(4-6-10)11(13)7-12/h3-6,8,11,13H,7,12H2,1-2H3.
What are the key properties of 2-amino-1-(4-propan-2-yloxyphenyl)ethanol?
2-amino-1-(4-propan-2-yloxyphenyl)ethanol has a molecular weight of 195.26 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-propan-2-yloxyphenyl)ethanol is sourced from PubChem (CID 54593897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).