1-(2-hydroxyphenyl)-3-(N-methylanilino)propan-2-one

C16H17NO2 — CID 159401100

IUPAC1-(2-hydroxyphenyl)-3-(N-methylanilino)propan-2-one
SMILESCN(CC(=O)Cc1ccccc1O)c1ccccc1
InChIInChI=1S/C16H17NO2/c1-17(14-8-3-2-4-9-14)12-15(18)11-13-7-5-6-10-16(13)19/h2-10,19H,11-12H2,1H3
InChIKeyLNIQOHRXZPSEBC-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.64
Rot. Bonds5

About 1-(2-hydroxyphenyl)-3-(N-methylanilino)propan-2-one

1-(2-hydroxyphenyl)-3-(N-methylanilino)propan-2-one (PubChem CID 159401100) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-(2-hydroxyphenyl)-3-(N-methylanilino)propan-2-one.

Molecular Properties

Compound Name1-(2-hydroxyphenyl)-3-(N-methylanilino)propan-2-one
PubChem CID159401100
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name1-(2-hydroxyphenyl)-3-(N-methylanilino)propan-2-one
SMILESCN(CC(=O)Cc1ccccc1O)c1ccccc1
InChIInChI=1S/C16H17NO2/c1-17(14-8-3-2-4-9-14)12-15(18)11-13-7-5-6-10-16(13)19/h2-10,19H,11-12H2,1H3
InChIKeyLNIQOHRXZPSEBC-UHFFFAOYSA-N
XLogP2.64
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(N-methylanilino)-3-oxobutanal
CID 134923271
azane;bis(2-(2-hydroxyphenyl)acetic acid)
CID 70465939
4-[[3-(2-fluorophenyl)-2-oxopropyl]-methylamino]benzonitrile
CID 62982737
1-amino-3-(2-hydroxyphenyl)propan-2-one
CID 141322546
N-[2-(dimethylamino)ethyl]-2-(N-methylanilino)acetamide
CID 108994641
N-methoxy-N-methyl-2-(N-methylanilino)acetamide
CID 121220639
(2R)-2-amino-2-phenylacetic acid;2-(N-methylanilino)acetic acid
CID 70231185
benzene;2-ethylphenol
CID 159726745
2-(2-hydroxyphenyl)-N',N'-dimethylacetohydrazide
CID 83017027
N,N-dibenzyl-2-(N-methylanilino)acetamide
CID 102294551
2-[2-[(3-hydroxy-N-methylanilino)methyl]phenyl]acetic acid
CID 107736699
1-cyclohexyl-2-(N-methylanilino)ethanone
CID 12697074

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyphenyl)-3-(N-methylanilino)propan-2-one?
The IUPAC name of 1-(2-hydroxyphenyl)-3-(N-methylanilino)propan-2-one (CID 159401100) is 1-(2-hydroxyphenyl)-3-(N-methylanilino)propan-2-one.
What is the SMILES notation for 1-(2-hydroxyphenyl)-3-(N-methylanilino)propan-2-one?
The canonical SMILES for 1-(2-hydroxyphenyl)-3-(N-methylanilino)propan-2-one is CN(CC(=O)Cc1ccccc1O)c1ccccc1.
What is the InChIKey of 1-(2-hydroxyphenyl)-3-(N-methylanilino)propan-2-one?
The InChIKey is LNIQOHRXZPSEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-17(14-8-3-2-4-9-14)12-15(18)11-13-7-5-6-10-16(13)19/h2-10,19H,11-12H2,1H3.
What are the key properties of 1-(2-hydroxyphenyl)-3-(N-methylanilino)propan-2-one?
1-(2-hydroxyphenyl)-3-(N-methylanilino)propan-2-one has a molecular weight of 255.32 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyphenyl)-3-(N-methylanilino)propan-2-one is sourced from PubChem (CID 159401100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).