1-(2-aminophenyl)-4-(oxolan-2-yl)butan-1-one

C14H19NO2 — CID 65166956

IUPAC1-(2-aminophenyl)-4-(oxolan-2-yl)butan-1-one
SMILESNc1ccccc1C(=O)CCCC1CCCO1
InChIInChI=1S/C14H19NO2/c15-13-8-2-1-7-12(13)14(16)9-3-5-11-6-4-10-17-11/h1-2,7-8,11H,3-6,9-10,15H2
InChIKeyYXIWCTDDBLTRNJ-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.80
Rot. Bonds5

About 1-(2-aminophenyl)-4-(oxolan-2-yl)butan-1-one

1-(2-aminophenyl)-4-(oxolan-2-yl)butan-1-one (PubChem CID 65166956) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(2-aminophenyl)-4-(oxolan-2-yl)butan-1-one.

Molecular Properties

Compound Name1-(2-aminophenyl)-4-(oxolan-2-yl)butan-1-one
PubChem CID65166956
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-(2-aminophenyl)-4-(oxolan-2-yl)butan-1-one
SMILESNc1ccccc1C(=O)CCCC1CCCO1
InChIInChI=1S/C14H19NO2/c15-13-8-2-1-7-12(13)14(16)9-3-5-11-6-4-10-17-11/h1-2,7-8,11H,3-6,9-10,15H2
InChIKeyYXIWCTDDBLTRNJ-UHFFFAOYSA-N
XLogP2.80
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.80
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

1-(2,3-difluorophenyl)-4-(oxolan-2-yl)butan-1-one
CID 114976662
1-(2-bromofuran-3-yl)-4-(oxolan-2-yl)butan-1-one
CID 106856675
1-(3-aminonaphthalen-2-yl)-3-(oxolan-2-yl)propan-1-one
CID 116560398
1-(2-chlorofuran-3-yl)-4-(oxolan-2-yl)butan-1-one
CID 106691075
1-[5-(aminomethyl)furan-2-yl]-4-(oxolan-2-yl)butan-1-one
CID 116590164
4-(oxolan-2-yl)-1-pyrazolo[1,5-a]pyridin-3-ylbutan-1-one
CID 103124735
1-(4-amino-3,5-dichlorophenyl)-4-(oxolan-2-yl)butan-1-one
CID 116609950
1-amino-7-(oxolan-2-yl)-1-phenylheptan-4-one
CID 116570924
1-(2-tert-butylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 114976956
4-(oxolan-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)butan-1-one
CID 65408979
4-(oxolan-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-1-one
CID 65167319
1-(3-methoxyphenyl)-4-(oxolan-2-yl)butan-1-one
CID 65167309

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-4-(oxolan-2-yl)butan-1-one?
The IUPAC name of 1-(2-aminophenyl)-4-(oxolan-2-yl)butan-1-one (CID 65166956) is 1-(2-aminophenyl)-4-(oxolan-2-yl)butan-1-one.
What is the SMILES notation for 1-(2-aminophenyl)-4-(oxolan-2-yl)butan-1-one?
The canonical SMILES for 1-(2-aminophenyl)-4-(oxolan-2-yl)butan-1-one is Nc1ccccc1C(=O)CCCC1CCCO1.
What is the InChIKey of 1-(2-aminophenyl)-4-(oxolan-2-yl)butan-1-one?
The InChIKey is YXIWCTDDBLTRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c15-13-8-2-1-7-12(13)14(16)9-3-5-11-6-4-10-17-11/h1-2,7-8,11H,3-6,9-10,15H2.
What are the key properties of 1-(2-aminophenyl)-4-(oxolan-2-yl)butan-1-one?
1-(2-aminophenyl)-4-(oxolan-2-yl)butan-1-one has a molecular weight of 233.31 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-4-(oxolan-2-yl)butan-1-one is sourced from PubChem (CID 65166956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).