1-(4-aminophenyl)-2-(oxolan-2-yl)ethanone

C12H15NO2 — CID 65159707

IUPAC1-(4-aminophenyl)-2-(oxolan-2-yl)ethanone
SMILESNc1ccc(C(=O)CC2CCCO2)cc1
InChIInChI=1S/C12H15NO2/c13-10-5-3-9(4-6-10)12(14)8-11-2-1-7-15-11/h3-6,11H,1-2,7-8,13H2
InChIKeyOXRHPBZSYPYOPT-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.02
Rot. Bonds3

About 1-(4-aminophenyl)-2-(oxolan-2-yl)ethanone

1-(4-aminophenyl)-2-(oxolan-2-yl)ethanone (PubChem CID 65159707) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-(oxolan-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-(oxolan-2-yl)ethanone
PubChem CID65159707
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1-(4-aminophenyl)-2-(oxolan-2-yl)ethanone
SMILESNc1ccc(C(=O)CC2CCCO2)cc1
InChIInChI=1S/C12H15NO2/c13-10-5-3-9(4-6-10)12(14)8-11-2-1-7-15-11/h3-6,11H,1-2,7-8,13H2
InChIKeyOXRHPBZSYPYOPT-UHFFFAOYSA-N
XLogP2.02
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.02
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

2-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 55116317
1-(4-amino-3-chlorophenyl)-2-(oxolan-2-yl)ethanone
CID 65159863
oxolan-2-ylmethyl 4-aminobenzoate
CID 21240891
4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 723405
4-amino-N-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 119708774
4-amino-N-[2-(oxan-2-yl)ethyl]benzamide
CID 83633238
2-[(2S)-oxolan-2-yl]acetamide
CID 89422838
N-(4-amino-2-methylphenyl)-2-(oxolan-2-yl)acetamide
CID 65152082
2-[2-(oxan-2-yl)acetyl]benzohydrazide
CID 175764371
3-(4-aminophenyl)-N-[2-(oxolan-2-yl)ethyl]propanamide
CID 61126143
1-(5-amino-2-pyridinyl)-3-(oxolan-2-yl)propan-1-one
CID 116605212
4-amino-N-methyl-N-(oxan-2-ylmethyl)benzamide;hydrochloride
CID 119746333

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-(oxolan-2-yl)ethanone?
The IUPAC name of 1-(4-aminophenyl)-2-(oxolan-2-yl)ethanone (CID 65159707) is 1-(4-aminophenyl)-2-(oxolan-2-yl)ethanone.
What is the SMILES notation for 1-(4-aminophenyl)-2-(oxolan-2-yl)ethanone?
The canonical SMILES for 1-(4-aminophenyl)-2-(oxolan-2-yl)ethanone is Nc1ccc(C(=O)CC2CCCO2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-2-(oxolan-2-yl)ethanone?
The InChIKey is OXRHPBZSYPYOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c13-10-5-3-9(4-6-10)12(14)8-11-2-1-7-15-11/h3-6,11H,1-2,7-8,13H2.
What are the key properties of 1-(4-aminophenyl)-2-(oxolan-2-yl)ethanone?
1-(4-aminophenyl)-2-(oxolan-2-yl)ethanone has a molecular weight of 205.26 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-(oxolan-2-yl)ethanone is sourced from PubChem (CID 65159707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).