2-[(dimethylamino)methyl]-3-hydroxy-1-phenylpropan-1-one;hydrochloride

C12H18ClNO2 — CID 16655605

IUPAC2-[(dimethylamino)methyl]-3-hydroxy-1-phenylpropan-1-one;hydrochloride
SMILESCN(C)CC(CO)C(=O)c1ccccc1.Cl
InChIInChI=1S/C12H17NO2.ClH/c1-13(2)8-11(9-14)12(15)10-6-4-3-5-7-10;/h3-7,11,14H,8-9H2,1-2H3;1H
InChIKeyCHMUJRRCOUUOEM-UHFFFAOYSA-N
MW243.73 g/mol
LogP1.46
Rot. Bonds5

About 2-[(dimethylamino)methyl]-3-hydroxy-1-phenylpropan-1-one;hydrochloride

2-[(dimethylamino)methyl]-3-hydroxy-1-phenylpropan-1-one;hydrochloride (PubChem CID 16655605) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-3-hydroxy-1-phenylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-3-hydroxy-1-phenylpropan-1-one;hydrochloride
PubChem CID16655605
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name2-[(dimethylamino)methyl]-3-hydroxy-1-phenylpropan-1-one;hydrochloride
SMILESCN(C)CC(CO)C(=O)c1ccccc1.Cl
InChIInChI=1S/C12H17NO2.ClH/c1-13(2)8-11(9-14)12(15)10-6-4-3-5-7-10;/h3-7,11,14H,8-9H2,1-2H3;1H
InChIKeyCHMUJRRCOUUOEM-UHFFFAOYSA-N
XLogP1.46
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-3-hydroxy-1-phenylpropan-1-one;hydrochloride?
The IUPAC name of 2-[(dimethylamino)methyl]-3-hydroxy-1-phenylpropan-1-one;hydrochloride (CID 16655605) is 2-[(dimethylamino)methyl]-3-hydroxy-1-phenylpropan-1-one;hydrochloride.
What is the SMILES notation for 2-[(dimethylamino)methyl]-3-hydroxy-1-phenylpropan-1-one;hydrochloride?
The canonical SMILES for 2-[(dimethylamino)methyl]-3-hydroxy-1-phenylpropan-1-one;hydrochloride is CN(C)CC(CO)C(=O)c1ccccc1.Cl.
What is the InChIKey of 2-[(dimethylamino)methyl]-3-hydroxy-1-phenylpropan-1-one;hydrochloride?
The InChIKey is CHMUJRRCOUUOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2.ClH/c1-13(2)8-11(9-14)12(15)10-6-4-3-5-7-10;/h3-7,11,14H,8-9H2,1-2H3;1H.
What are the key properties of 2-[(dimethylamino)methyl]-3-hydroxy-1-phenylpropan-1-one;hydrochloride?
2-[(dimethylamino)methyl]-3-hydroxy-1-phenylpropan-1-one;hydrochloride has a molecular weight of 243.73 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-3-hydroxy-1-phenylpropan-1-one;hydrochloride is sourced from PubChem (CID 16655605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).