1-(1-aminonaphthalen-2-yl)-2-(ethylamino)ethanone

C14H16N2O — CID 70563290

IUPAC1-(1-aminonaphthalen-2-yl)-2-(ethylamino)ethanone
SMILESCCNCC(=O)c1ccc2ccccc2c1N
InChIInChI=1S/C14H16N2O/c1-2-16-9-13(17)12-8-7-10-5-3-4-6-11(10)14(12)15/h3-8,16H,2,9,15H2,1H3
InChIKeyVTYBCESADUJEKJ-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.21
Rot. Bonds4

About 1-(1-aminonaphthalen-2-yl)-2-(ethylamino)ethanone

1-(1-aminonaphthalen-2-yl)-2-(ethylamino)ethanone (PubChem CID 70563290) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 1-(1-aminonaphthalen-2-yl)-2-(ethylamino)ethanone.

Molecular Properties

Compound Name1-(1-aminonaphthalen-2-yl)-2-(ethylamino)ethanone
PubChem CID70563290
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name1-(1-aminonaphthalen-2-yl)-2-(ethylamino)ethanone
SMILESCCNCC(=O)c1ccc2ccccc2c1N
InChIInChI=1S/C14H16N2O/c1-2-16-9-13(17)12-8-7-10-5-3-4-6-11(10)14(12)15/h3-8,16H,2,9,15H2,1H3
InChIKeyVTYBCESADUJEKJ-UHFFFAOYSA-N
XLogP2.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 1-aminonaphthalene-2-carboxylate
CID 18006268
1-aminonaphthalene-2-carbonyl iodide
CID 89199077
(1-aminonaphthalen-2-yl)-(4-methylphenyl)methanone
CID 67495002
2-(ethylamino)-1-phenylethanone;methanol
CID 143922516
N-[2-(ethylamino)ethyl]-1-hydroxynaphthalene-2-carboxamide
CID 62656875
2-(ethylamino)-N-(naphthalen-1-ylmethyl)acetamide
CID 55068383
(1-aminonaphthalen-2-yl)-pyrrolidin-1-ylmethanone
CID 59534009
1-(2,4-difluorophenyl)-2-(ethylamino)ethanone
CID 82282170
5-(ethylamino)-N-naphthalen-1-yl-4-oxopentanamide
CID 175505076
2-(1-aminonaphthalen-2-yl)propanal
CID 174544032
2-(1-aminonaphthalen-2-yl)benzoic acid
CID 21398858
1-ethylnaphthalene-2-carboxylic acid
CID 22762218

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminonaphthalen-2-yl)-2-(ethylamino)ethanone?
The IUPAC name of 1-(1-aminonaphthalen-2-yl)-2-(ethylamino)ethanone (CID 70563290) is 1-(1-aminonaphthalen-2-yl)-2-(ethylamino)ethanone.
What is the SMILES notation for 1-(1-aminonaphthalen-2-yl)-2-(ethylamino)ethanone?
The canonical SMILES for 1-(1-aminonaphthalen-2-yl)-2-(ethylamino)ethanone is CCNCC(=O)c1ccc2ccccc2c1N.
What is the InChIKey of 1-(1-aminonaphthalen-2-yl)-2-(ethylamino)ethanone?
The InChIKey is VTYBCESADUJEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-2-16-9-13(17)12-8-7-10-5-3-4-6-11(10)14(12)15/h3-8,16H,2,9,15H2,1H3.
What are the key properties of 1-(1-aminonaphthalen-2-yl)-2-(ethylamino)ethanone?
1-(1-aminonaphthalen-2-yl)-2-(ethylamino)ethanone has a molecular weight of 228.30 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminonaphthalen-2-yl)-2-(ethylamino)ethanone is sourced from PubChem (CID 70563290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).