2-(3-aminophenoxy)-1-naphthalen-2-ylethanone

C18H15NO2 — CID 46307596

IUPAC2-(3-aminophenoxy)-1-naphthalen-2-ylethanone
SMILESNc1cccc(OCC(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C18H15NO2/c19-16-6-3-7-17(11-16)21-12-18(20)15-9-8-13-4-1-2-5-14(13)10-15/h1-11H,12,19H2
InChIKeyGAIFIQWRGQYWOE-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.68
Rot. Bonds4

About 2-(3-aminophenoxy)-1-naphthalen-2-ylethanone

2-(3-aminophenoxy)-1-naphthalen-2-ylethanone (PubChem CID 46307596) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-(3-aminophenoxy)-1-naphthalen-2-ylethanone.

Molecular Properties

Compound Name2-(3-aminophenoxy)-1-naphthalen-2-ylethanone
PubChem CID46307596
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name2-(3-aminophenoxy)-1-naphthalen-2-ylethanone
SMILESNc1cccc(OCC(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C18H15NO2/c19-16-6-3-7-17(11-16)21-12-18(20)15-9-8-13-4-1-2-5-14(13)10-15/h1-11H,12,19H2
InChIKeyGAIFIQWRGQYWOE-UHFFFAOYSA-N
XLogP3.68
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3-aminophenyl) naphthalene-2-carboxylate
CID 22761549
2-(3-aminophenoxy)-1-(4-cyclohexylphenyl)ethanone
CID 46307497
1-(3-bromophenyl)-2-naphthalen-2-yloxyethanone
CID 43413547
7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one
CID 2292760
N-(3-aminophenyl)-2-naphthalen-2-yloxyacetamide
CID 16788601
bis(2-naphthalen-2-yl-2-oxoethoxy)-oxophosphanium
CID 174874865
1,4-dinaphthalen-2-ylbutane-1,4-dione
CID 593323
1-naphthalen-2-yl-2-propan-2-yloxyethanone
CID 79567011
(2-naphthalen-2-yl-2-oxoethyl) 2-phenylacetate
CID 888123
[6-[4-(3-aminophenoxy)benzoyl]naphthalen-2-yl]-[4-(3-aminophenoxy)phenyl]methanone
CID 177406182
2-hydroxyethyl 2-(3-aminophenoxy)acetate
CID 61320594
(2-naphthalen-2-yl-2-oxoethyl) (2S)-2-hydroxy-3-methylbutanoate
CID 57379444

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenoxy)-1-naphthalen-2-ylethanone?
The IUPAC name of 2-(3-aminophenoxy)-1-naphthalen-2-ylethanone (CID 46307596) is 2-(3-aminophenoxy)-1-naphthalen-2-ylethanone.
What is the SMILES notation for 2-(3-aminophenoxy)-1-naphthalen-2-ylethanone?
The canonical SMILES for 2-(3-aminophenoxy)-1-naphthalen-2-ylethanone is Nc1cccc(OCC(=O)c2ccc3ccccc3c2)c1.
What is the InChIKey of 2-(3-aminophenoxy)-1-naphthalen-2-ylethanone?
The InChIKey is GAIFIQWRGQYWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c19-16-6-3-7-17(11-16)21-12-18(20)15-9-8-13-4-1-2-5-14(13)10-15/h1-11H,12,19H2.
What are the key properties of 2-(3-aminophenoxy)-1-naphthalen-2-ylethanone?
2-(3-aminophenoxy)-1-naphthalen-2-ylethanone has a molecular weight of 277.32 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenoxy)-1-naphthalen-2-ylethanone is sourced from PubChem (CID 46307596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).