1-[2-[2-hydroxypropyl(methyl)amino]phenyl]ethanone

C12H17NO2 — CID 62332772

IUPAC1-[2-[2-hydroxypropyl(methyl)amino]phenyl]ethanone
SMILESCC(=O)c1ccccc1N(C)CC(C)O
InChIInChI=1S/C12H17NO2/c1-9(14)8-13(3)12-7-5-4-6-11(12)10(2)15/h4-7,9,14H,8H2,1-3H3
InChIKeyXJNIKGHMTAZPGW-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.71
Rot. Bonds4

About 1-[2-[2-hydroxypropyl(methyl)amino]phenyl]ethanone

1-[2-[2-hydroxypropyl(methyl)amino]phenyl]ethanone (PubChem CID 62332772) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-[2-[2-hydroxypropyl(methyl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[2-hydroxypropyl(methyl)amino]phenyl]ethanone
PubChem CID62332772
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-[2-[2-hydroxypropyl(methyl)amino]phenyl]ethanone
SMILESCC(=O)c1ccccc1N(C)CC(C)O
InChIInChI=1S/C12H17NO2/c1-9(14)8-13(3)12-7-5-4-6-11(12)10(2)15/h4-7,9,14H,8H2,1-3H3
InChIKeyXJNIKGHMTAZPGW-UHFFFAOYSA-N
XLogP1.71
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-hydroxypropyl(methyl)amino]benzenecarboximidamide
CID 62334639
1-[2-[2-methoxyethyl(methyl)amino]phenyl]ethanone
CID 61427259
1-(2-bromo-N-methylanilino)propan-2-ol
CID 82117993
1-(N-methyl-2-methylsulfonylanilino)propan-2-ol
CID 62335208
1-[2-[2-methylpropyl(pentan-3-yl)amino]phenyl]ethanone
CID 79483626
1-[2-[(4-bromophenyl)methyl-methylamino]phenyl]ethanone
CID 60699051
1-[2-[(1S)-1-aminoethyl]-N-methylanilino]propan-2-ol
CID 63368989
1-[2-[(1R)-1-aminoethyl]-N-methylanilino]propan-2-ol
CID 78935252
1-[2-[cyclopropyl(2-methylpropyl)amino]phenyl]ethanone
CID 55002410
methyl 2-[2-hydroxybutyl(methyl)amino]benzoate
CID 62028637
1-[2-[(1-hydroxycyclopentyl)methyl-methylamino]phenyl]ethanone
CID 114949916
2-[methyl(3-methylbutyl)amino]benzoic acid
CID 61428885

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-hydroxypropyl(methyl)amino]phenyl]ethanone?
The IUPAC name of 1-[2-[2-hydroxypropyl(methyl)amino]phenyl]ethanone (CID 62332772) is 1-[2-[2-hydroxypropyl(methyl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[2-[2-hydroxypropyl(methyl)amino]phenyl]ethanone?
The canonical SMILES for 1-[2-[2-hydroxypropyl(methyl)amino]phenyl]ethanone is CC(=O)c1ccccc1N(C)CC(C)O.
What is the InChIKey of 1-[2-[2-hydroxypropyl(methyl)amino]phenyl]ethanone?
The InChIKey is XJNIKGHMTAZPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9(14)8-13(3)12-7-5-4-6-11(12)10(2)15/h4-7,9,14H,8H2,1-3H3.
What are the key properties of 1-[2-[2-hydroxypropyl(methyl)amino]phenyl]ethanone?
1-[2-[2-hydroxypropyl(methyl)amino]phenyl]ethanone has a molecular weight of 207.27 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-hydroxypropyl(methyl)amino]phenyl]ethanone is sourced from PubChem (CID 62332772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).