2-(3-bromophenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone

C15H20BrNO2 — CID 116587837

IUPAC2-(3-bromophenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone
SMILESCCCNC1COCC1C(=O)Cc1cccc(Br)c1
InChIInChI=1S/C15H20BrNO2/c1-2-6-17-14-10-19-9-13(14)15(18)8-11-4-3-5-12(16)7-11/h3-5,7,13-14,17H,2,6,8-10H2,1H3
InChIKeyYSMFZLJBKNQEJG-UHFFFAOYSA-N
MW326.23 g/mol
LogP2.58
Rot. Bonds6

About 2-(3-bromophenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone

2-(3-bromophenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone (PubChem CID 116587837) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone
PubChem CID116587837
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name2-(3-bromophenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone
SMILESCCCNC1COCC1C(=O)Cc1cccc(Br)c1
InChIInChI=1S/C15H20BrNO2/c1-2-6-17-14-10-19-9-13(14)15(18)8-11-4-3-5-12(16)7-11/h3-5,7,13-14,17H,2,6,8-10H2,1H3
InChIKeyYSMFZLJBKNQEJG-UHFFFAOYSA-N
XLogP2.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(propylamino)oxolan-3-yl]-2-pyridin-3-ylethanone
CID 116587805
2-(2-bromo-5-methoxyphenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone
CID 116587882
N-(4-bromo-2-ethylphenyl)-4-(propylamino)oxolane-3-carboxamide
CID 81287725
2-(2,5-dichlorophenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone
CID 116587823
2-(3-bromo-2,6-difluorophenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone
CID 106272670
2-(3,4-dichlorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone
CID 116587940
2-(3-bromophenyl)-N-propylacetamide
CID 4084138
N-(3-carbamoylphenyl)-4-(propylamino)oxolane-3-carboxamide
CID 66256350
1-[4-(propylamino)oxolan-3-yl]pentan-1-one
CID 116587714
(2,6-dimethoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone
CID 116811557
2-(2-bromo-3-fluorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone
CID 116588148
2-(1,3-diethylpyrazol-5-yl)-1-[4-(propylamino)oxolan-3-yl]ethanone
CID 116587859

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone?
The IUPAC name of 2-(3-bromophenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone (CID 116587837) is 2-(3-bromophenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone.
What is the SMILES notation for 2-(3-bromophenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone?
The canonical SMILES for 2-(3-bromophenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone is CCCNC1COCC1C(=O)Cc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone?
The InChIKey is YSMFZLJBKNQEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-2-6-17-14-10-19-9-13(14)15(18)8-11-4-3-5-12(16)7-11/h3-5,7,13-14,17H,2,6,8-10H2,1H3.
What are the key properties of 2-(3-bromophenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone?
2-(3-bromophenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone has a molecular weight of 326.23 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone is sourced from PubChem (CID 116587837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).