2-amino-3-methoxy-1-naphthalen-2-ylpropan-1-one

C14H15NO2 — CID 116594058

IUPAC2-amino-3-methoxy-1-naphthalen-2-ylpropan-1-one
SMILESCOCC(N)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C14H15NO2/c1-17-9-13(15)14(16)12-7-6-10-4-2-3-5-11(10)8-12/h2-8,13H,9,15H2,1H3
InChIKeyBYQIQTPATOQJOZ-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.00
Rot. Bonds4

About 2-amino-3-methoxy-1-naphthalen-2-ylpropan-1-one

2-amino-3-methoxy-1-naphthalen-2-ylpropan-1-one (PubChem CID 116594058) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-amino-3-methoxy-1-naphthalen-2-ylpropan-1-one.

Molecular Properties

Compound Name2-amino-3-methoxy-1-naphthalen-2-ylpropan-1-one
PubChem CID116594058
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name2-amino-3-methoxy-1-naphthalen-2-ylpropan-1-one
SMILESCOCC(N)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C14H15NO2/c1-17-9-13(15)14(16)12-7-6-10-4-2-3-5-11(10)8-12/h2-8,13H,9,15H2,1H3
InChIKeyBYQIQTPATOQJOZ-UHFFFAOYSA-N
XLogP2.00
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-methoxy-1-phenylpropan-1-one
CID 68527964
2-amino-4-methyl-1-naphthalen-2-ylpentan-1-one
CID 116553536
(2R)-2-amino-4-methyl-1-naphthalen-2-ylpentan-1-one
CID 102464315
(2R)-2-amino-1-naphthalen-2-ylpropan-1-one
CID 67852700
dimethyl 2,4-bis(naphthalene-2-carbonyl)pentanedioate
CID 102483861
2-amino-1-(4-fluorophenyl)-3-methoxypropan-1-one
CID 116594008
N-(2-amino-3-methoxypropyl)-N-methylnaphthalene-2-carboxamide
CID 63754922
2-amino-1-(3-cyclopropyloxyphenyl)-3-methoxypropan-1-one
CID 114523838
2-methoxy-1-naphthalen-2-ylpropan-1-one
CID 79616176
N-(3-amino-4-methoxybutyl)naphthalene-2-carboxamide
CID 106243297
2-amino-1-(4-tert-butylphenyl)-3-methoxypropan-1-one
CID 116594171
(2S)-2-hydroxy-1-naphthalen-2-ylpropan-1-one
CID 10130388

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-1-naphthalen-2-ylpropan-1-one?
The IUPAC name of 2-amino-3-methoxy-1-naphthalen-2-ylpropan-1-one (CID 116594058) is 2-amino-3-methoxy-1-naphthalen-2-ylpropan-1-one.
What is the SMILES notation for 2-amino-3-methoxy-1-naphthalen-2-ylpropan-1-one?
The canonical SMILES for 2-amino-3-methoxy-1-naphthalen-2-ylpropan-1-one is COCC(N)C(=O)c1ccc2ccccc2c1.
What is the InChIKey of 2-amino-3-methoxy-1-naphthalen-2-ylpropan-1-one?
The InChIKey is BYQIQTPATOQJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-17-9-13(15)14(16)12-7-6-10-4-2-3-5-11(10)8-12/h2-8,13H,9,15H2,1H3.
What are the key properties of 2-amino-3-methoxy-1-naphthalen-2-ylpropan-1-one?
2-amino-3-methoxy-1-naphthalen-2-ylpropan-1-one has a molecular weight of 229.28 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-1-naphthalen-2-ylpropan-1-one is sourced from PubChem (CID 116594058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).