1-[4-(hydroxymethyl)phenyl]-2-(methylamino)propan-1-one

C11H15NO2 — CID 67477511

IUPAC1-[4-(hydroxymethyl)phenyl]-2-(methylamino)propan-1-one
SMILESCNC(C)C(=O)c1ccc(CO)cc1
InChIInChI=1S/C11H15NO2/c1-8(12-2)11(14)10-5-3-9(7-13)4-6-10/h3-6,8,12-13H,7H2,1-2H3
InChIKeyWCOUDJHDLOKVES-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.97
Rot. Bonds4

About 1-[4-(hydroxymethyl)phenyl]-2-(methylamino)propan-1-one

1-[4-(hydroxymethyl)phenyl]-2-(methylamino)propan-1-one (PubChem CID 67477511) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)phenyl]-2-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)phenyl]-2-(methylamino)propan-1-one
PubChem CID67477511
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name1-[4-(hydroxymethyl)phenyl]-2-(methylamino)propan-1-one
SMILESCNC(C)C(=O)c1ccc(CO)cc1
InChIInChI=1S/C11H15NO2/c1-8(12-2)11(14)10-5-3-9(7-13)4-6-10/h3-6,8,12-13H,7H2,1-2H3
InChIKeyWCOUDJHDLOKVES-UHFFFAOYSA-N
XLogP0.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)phenyl]-2-(methylamino)propan-1-one?
The IUPAC name of 1-[4-(hydroxymethyl)phenyl]-2-(methylamino)propan-1-one (CID 67477511) is 1-[4-(hydroxymethyl)phenyl]-2-(methylamino)propan-1-one.
What is the SMILES notation for 1-[4-(hydroxymethyl)phenyl]-2-(methylamino)propan-1-one?
The canonical SMILES for 1-[4-(hydroxymethyl)phenyl]-2-(methylamino)propan-1-one is CNC(C)C(=O)c1ccc(CO)cc1.
What is the InChIKey of 1-[4-(hydroxymethyl)phenyl]-2-(methylamino)propan-1-one?
The InChIKey is WCOUDJHDLOKVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8(12-2)11(14)10-5-3-9(7-13)4-6-10/h3-6,8,12-13H,7H2,1-2H3.
What are the key properties of 1-[4-(hydroxymethyl)phenyl]-2-(methylamino)propan-1-one?
1-[4-(hydroxymethyl)phenyl]-2-(methylamino)propan-1-one has a molecular weight of 193.25 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)phenyl]-2-(methylamino)propan-1-one is sourced from PubChem (CID 67477511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).