5-(1-aminopropan-2-yl)-2-(hydroxymethyl)phenol

C10H15NO2 — CID 117278773

IUPAC5-(1-aminopropan-2-yl)-2-(hydroxymethyl)phenol
SMILESCC(CN)c1ccc(CO)c(O)c1
InChIInChI=1S/C10H15NO2/c1-7(5-11)8-2-3-9(6-12)10(13)4-8/h2-4,7,12-13H,5-6,11H2,1H3
InChIKeyYMVIPLCCERFXIO-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.95
Rot. Bonds3

About 5-(1-aminopropan-2-yl)-2-(hydroxymethyl)phenol

5-(1-aminopropan-2-yl)-2-(hydroxymethyl)phenol (PubChem CID 117278773) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 5-(1-aminopropan-2-yl)-2-(hydroxymethyl)phenol.

Molecular Properties

Compound Name5-(1-aminopropan-2-yl)-2-(hydroxymethyl)phenol
PubChem CID117278773
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name5-(1-aminopropan-2-yl)-2-(hydroxymethyl)phenol
SMILESCC(CN)c1ccc(CO)c(O)c1
InChIInChI=1S/C10H15NO2/c1-7(5-11)8-2-3-9(6-12)10(13)4-8/h2-4,7,12-13H,5-6,11H2,1H3
InChIKeyYMVIPLCCERFXIO-UHFFFAOYSA-N
XLogP0.95
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-aminopropan-2-yl)-2-(hydroxymethyl)phenol?
The IUPAC name of 5-(1-aminopropan-2-yl)-2-(hydroxymethyl)phenol (CID 117278773) is 5-(1-aminopropan-2-yl)-2-(hydroxymethyl)phenol.
What is the SMILES notation for 5-(1-aminopropan-2-yl)-2-(hydroxymethyl)phenol?
The canonical SMILES for 5-(1-aminopropan-2-yl)-2-(hydroxymethyl)phenol is CC(CN)c1ccc(CO)c(O)c1.
What is the InChIKey of 5-(1-aminopropan-2-yl)-2-(hydroxymethyl)phenol?
The InChIKey is YMVIPLCCERFXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-7(5-11)8-2-3-9(6-12)10(13)4-8/h2-4,7,12-13H,5-6,11H2,1H3.
What are the key properties of 5-(1-aminopropan-2-yl)-2-(hydroxymethyl)phenol?
5-(1-aminopropan-2-yl)-2-(hydroxymethyl)phenol has a molecular weight of 181.23 g/mol, XLogP of 0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminopropan-2-yl)-2-(hydroxymethyl)phenol is sourced from PubChem (CID 117278773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).