1-(3-aminonaphthalen-2-yl)-3-(oxolan-2-yl)propan-1-one

C17H19NO2 — CID 116560398

IUPAC1-(3-aminonaphthalen-2-yl)-3-(oxolan-2-yl)propan-1-one
SMILESNc1cc2ccccc2cc1C(=O)CCC1CCCO1
InChIInChI=1S/C17H19NO2/c18-16-11-13-5-2-1-4-12(13)10-15(16)17(19)8-7-14-6-3-9-20-14/h1-2,4-5,10-11,14H,3,6-9,18H2
InChIKeyFLYBGVXAXXAYFC-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.56
Rot. Bonds4

About 1-(3-aminonaphthalen-2-yl)-3-(oxolan-2-yl)propan-1-one

1-(3-aminonaphthalen-2-yl)-3-(oxolan-2-yl)propan-1-one (PubChem CID 116560398) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-(3-aminonaphthalen-2-yl)-3-(oxolan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-aminonaphthalen-2-yl)-3-(oxolan-2-yl)propan-1-one
PubChem CID116560398
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name1-(3-aminonaphthalen-2-yl)-3-(oxolan-2-yl)propan-1-one
SMILESNc1cc2ccccc2cc1C(=O)CCC1CCCO1
InChIInChI=1S/C17H19NO2/c18-16-11-13-5-2-1-4-12(13)10-15(16)17(19)8-7-14-6-3-9-20-14/h1-2,4-5,10-11,14H,3,6-9,18H2
InChIKeyFLYBGVXAXXAYFC-UHFFFAOYSA-N
XLogP3.56
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3-aminonaphthalen-2-yl)-3-(oxolan-2-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-aminophenyl)-4-(oxolan-2-yl)butan-1-one
CID 65166956
1-(3-amino-4-methylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 116550972
1-(2-tert-butylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 114976956
3-(oxolan-2-yl)-1-(2,4,5-trimethylphenyl)propan-1-one
CID 114975824
1-isoquinolin-4-yl-3-(oxan-2-yl)propan-1-one
CID 114971970
1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 65167153
3-(oxan-2-yl)-1-quinolin-3-ylpropan-1-one
CID 114963138
1-(2,3-difluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 107515192
1-(2-bromo-5-methylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 114976829
1-(2-fluoro-4-methoxyphenyl)-3-(oxolan-2-yl)propan-1-one
CID 65154683
1-(5-amino-2-pyridinyl)-3-(oxolan-2-yl)propan-1-one
CID 116605212
1-(3,4-dichlorophenyl)-3-(oxolan-2-yl)propan-1-one
CID 65155022

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminonaphthalen-2-yl)-3-(oxolan-2-yl)propan-1-one?
The IUPAC name of 1-(3-aminonaphthalen-2-yl)-3-(oxolan-2-yl)propan-1-one (CID 116560398) is 1-(3-aminonaphthalen-2-yl)-3-(oxolan-2-yl)propan-1-one.
What is the SMILES notation for 1-(3-aminonaphthalen-2-yl)-3-(oxolan-2-yl)propan-1-one?
The canonical SMILES for 1-(3-aminonaphthalen-2-yl)-3-(oxolan-2-yl)propan-1-one is Nc1cc2ccccc2cc1C(=O)CCC1CCCO1.
What is the InChIKey of 1-(3-aminonaphthalen-2-yl)-3-(oxolan-2-yl)propan-1-one?
The InChIKey is FLYBGVXAXXAYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c18-16-11-13-5-2-1-4-12(13)10-15(16)17(19)8-7-14-6-3-9-20-14/h1-2,4-5,10-11,14H,3,6-9,18H2.
What are the key properties of 1-(3-aminonaphthalen-2-yl)-3-(oxolan-2-yl)propan-1-one?
1-(3-aminonaphthalen-2-yl)-3-(oxolan-2-yl)propan-1-one has a molecular weight of 269.34 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminonaphthalen-2-yl)-3-(oxolan-2-yl)propan-1-one is sourced from PubChem (CID 116560398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).