2-hydroxy-3-(methylamino)-1-naphthalen-2-ylpropan-1-one

C14H15NO2 — CID 116826843

IUPAC2-hydroxy-3-(methylamino)-1-naphthalen-2-ylpropan-1-one
SMILESCNCC(O)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C14H15NO2/c1-15-9-13(16)14(17)12-7-6-10-4-2-3-5-11(10)8-12/h2-8,13,15-16H,9H2,1H3
InChIKeyLAFGSHFLDPDRFN-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.60
Rot. Bonds4

About 2-hydroxy-3-(methylamino)-1-naphthalen-2-ylpropan-1-one

2-hydroxy-3-(methylamino)-1-naphthalen-2-ylpropan-1-one (PubChem CID 116826843) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-hydroxy-3-(methylamino)-1-naphthalen-2-ylpropan-1-one.

Molecular Properties

Compound Name2-hydroxy-3-(methylamino)-1-naphthalen-2-ylpropan-1-one
PubChem CID116826843
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name2-hydroxy-3-(methylamino)-1-naphthalen-2-ylpropan-1-one
SMILESCNCC(O)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C14H15NO2/c1-15-9-13(16)14(17)12-7-6-10-4-2-3-5-11(10)8-12/h2-8,13,15-16H,9H2,1H3
InChIKeyLAFGSHFLDPDRFN-UHFFFAOYSA-N
XLogP1.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-(methylaminomethyl)-1-naphthalen-2-ylbutan-1-one
CID 116923574
(2S)-2-hydroxy-1-naphthalen-2-ylpropan-1-one
CID 10130388
dimethyl 2,4-bis(naphthalene-2-carbonyl)pentanedioate
CID 102483861
(2R)-2-(methylamino)-1-naphthalen-2-ylpentan-1-one
CID 124518898
2-methoxy-1-naphthalen-2-ylpropan-1-one
CID 79616176
(2R)-2-amino-1-naphthalen-2-ylpropan-1-one
CID 67852700
(2R)-2-chloro-1-naphthalen-2-ylpropan-1-one
CID 93494503
(2S)-1-naphthalen-2-yl-2-(propan-2-ylamino)propan-1-one
CID 781909
N-(3-amino-2-hydroxy-3-oxopropyl)naphthalene-2-carboxamide
CID 107261317
diethyl-[(2S)-1-naphthalen-2-yl-1-oxopropan-2-yl]azanium
CID 6942690
(2S)-2-bromo-1-naphthalen-2-ylpentan-1-one
CID 86328422
(2R)-2-amino-4-methyl-1-naphthalen-2-ylpentan-1-one
CID 102464315

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(methylamino)-1-naphthalen-2-ylpropan-1-one?
The IUPAC name of 2-hydroxy-3-(methylamino)-1-naphthalen-2-ylpropan-1-one (CID 116826843) is 2-hydroxy-3-(methylamino)-1-naphthalen-2-ylpropan-1-one.
What is the SMILES notation for 2-hydroxy-3-(methylamino)-1-naphthalen-2-ylpropan-1-one?
The canonical SMILES for 2-hydroxy-3-(methylamino)-1-naphthalen-2-ylpropan-1-one is CNCC(O)C(=O)c1ccc2ccccc2c1.
What is the InChIKey of 2-hydroxy-3-(methylamino)-1-naphthalen-2-ylpropan-1-one?
The InChIKey is LAFGSHFLDPDRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-15-9-13(16)14(17)12-7-6-10-4-2-3-5-11(10)8-12/h2-8,13,15-16H,9H2,1H3.
What are the key properties of 2-hydroxy-3-(methylamino)-1-naphthalen-2-ylpropan-1-one?
2-hydroxy-3-(methylamino)-1-naphthalen-2-ylpropan-1-one has a molecular weight of 229.28 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(methylamino)-1-naphthalen-2-ylpropan-1-one is sourced from PubChem (CID 116826843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).