1-(3-aminonaphthalen-2-yl)-2-phenylethanone

C18H15NO — CID 116560313

IUPAC1-(3-aminonaphthalen-2-yl)-2-phenylethanone
SMILESNc1cc2ccccc2cc1C(=O)Cc1ccccc1
InChIInChI=1S/C18H15NO/c19-17-12-15-9-5-4-8-14(15)11-16(17)18(20)10-13-6-2-1-3-7-13/h1-9,11-12H,10,19H2
InChIKeyVUSUYLGXGZLFPE-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.85
Rot. Bonds3

About 1-(3-aminonaphthalen-2-yl)-2-phenylethanone

1-(3-aminonaphthalen-2-yl)-2-phenylethanone (PubChem CID 116560313) has the molecular formula C18H15NO and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-(3-aminonaphthalen-2-yl)-2-phenylethanone.

Molecular Properties

Compound Name1-(3-aminonaphthalen-2-yl)-2-phenylethanone
PubChem CID116560313
Molecular FormulaC18H15NO
Molecular Weight261.32 g/mol
Exact Mass261.12
IUPAC Name1-(3-aminonaphthalen-2-yl)-2-phenylethanone
SMILESNc1cc2ccccc2cc1C(=O)Cc1ccccc1
InChIInChI=1S/C18H15NO/c19-17-12-15-9-5-4-8-14(15)11-16(17)18(20)10-13-6-2-1-3-7-13/h1-9,11-12H,10,19H2
InChIKeyVUSUYLGXGZLFPE-UHFFFAOYSA-N
XLogP3.85
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-aminonaphthalen-2-yl)-2-(3-bromophenyl)ethanone
CID 116560426
1-(2-amino-4,5-difluorophenyl)-2-phenylethanone
CID 132915843
1-(3-aminonaphthalen-2-yl)-2-(2-fluorophenyl)ethanone
CID 116560408
1-(6-amino-1,3-benzodioxol-5-yl)-2-phenylethanone
CID 11608549
1-(3-aminonaphthalen-2-yl)but-3-en-1-one
CID 116560321
1-(2-amino-5-tert-butylphenyl)-2-phenylethanone
CID 83988014
1-(2-amino-4-chloro-5-methoxyphenyl)-2-phenylethanone
CID 83987969
1-(3-aminonaphthalen-2-yl)-2-(1,3-thiazol-2-yl)ethanone
CID 116560365
1-[2-amino-5-(trifluoromethyl)phenyl]-2-phenylethanone
CID 112556286
1-(3-aminonaphthalen-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
CID 116560381
3-aminonaphthalene-2-carboxylic acid;2-aminophenol
CID 70253248
3-amino-N-methyl-N-phenylnaphthalene-2-carboxamide
CID 14678741

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminonaphthalen-2-yl)-2-phenylethanone?
The IUPAC name of 1-(3-aminonaphthalen-2-yl)-2-phenylethanone (CID 116560313) is 1-(3-aminonaphthalen-2-yl)-2-phenylethanone.
What is the SMILES notation for 1-(3-aminonaphthalen-2-yl)-2-phenylethanone?
The canonical SMILES for 1-(3-aminonaphthalen-2-yl)-2-phenylethanone is Nc1cc2ccccc2cc1C(=O)Cc1ccccc1.
What is the InChIKey of 1-(3-aminonaphthalen-2-yl)-2-phenylethanone?
The InChIKey is VUSUYLGXGZLFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO/c19-17-12-15-9-5-4-8-14(15)11-16(17)18(20)10-13-6-2-1-3-7-13/h1-9,11-12H,10,19H2.
What are the key properties of 1-(3-aminonaphthalen-2-yl)-2-phenylethanone?
1-(3-aminonaphthalen-2-yl)-2-phenylethanone has a molecular weight of 261.32 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminonaphthalen-2-yl)-2-phenylethanone is sourced from PubChem (CID 116560313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).