2-(4-amino-2-fluorophenoxy)-1-(azepan-1-yl)ethanone

C14H19FN2O2 — CID 43259286

IUPAC2-(4-amino-2-fluorophenoxy)-1-(azepan-1-yl)ethanone
SMILESNc1ccc(OCC(=O)N2CCCCCC2)c(F)c1
InChIInChI=1S/C14H19FN2O2/c15-12-9-11(16)5-6-13(12)19-10-14(18)17-7-3-1-2-4-8-17/h5-6,9H,1-4,7-8,10,16H2
InChIKeyGQKVXLBNACHDSC-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.19
Rot. Bonds3

About 2-(4-amino-2-fluorophenoxy)-1-(azepan-1-yl)ethanone

2-(4-amino-2-fluorophenoxy)-1-(azepan-1-yl)ethanone (PubChem CID 43259286) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-(4-amino-2-fluorophenoxy)-1-(azepan-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-amino-2-fluorophenoxy)-1-(azepan-1-yl)ethanone
PubChem CID43259286
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name2-(4-amino-2-fluorophenoxy)-1-(azepan-1-yl)ethanone
SMILESNc1ccc(OCC(=O)N2CCCCCC2)c(F)c1
InChIInChI=1S/C14H19FN2O2/c15-12-9-11(16)5-6-13(12)19-10-14(18)17-7-3-1-2-4-8-17/h5-6,9H,1-4,7-8,10,16H2
InChIKeyGQKVXLBNACHDSC-UHFFFAOYSA-N
XLogP2.19
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.19
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-(4-amino-2-bromophenoxy)-1-pyrrolidin-1-ylethanone
CID 154897691
5-amino-2-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid
CID 43379980
3-fluoro-4-(2-oxo-2-piperidin-1-ylethoxy)benzaldehyde
CID 103850091
2-(4-amino-2-methoxyphenoxy)-1-(azepan-1-yl)ethanone
CID 62110109
1-(azetidin-1-yl)-2-(4-bromo-2-fluorophenoxy)ethanone
CID 78799892
2-(4-amino-2-fluorophenyl)sulfanyl-1-piperidin-1-ylethanone
CID 43303800
2-(2-amino-4-methylphenoxy)-1-piperidin-1-ylethanone
CID 61312995
1-(azepan-1-yl)-2-(5-bromo-2-fluorophenoxy)ethanone
CID 115918563
2-[4-(aminomethyl)-2-bromophenoxy]-1-piperidin-1-ylethanone
CID 55147902
2-[2-amino-4-(trifluoromethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 82007821
2-(2,4-difluorophenoxy)-1-morpholin-4-ylethanone
CID 17190869
(2-oxo-2-pyrrolidin-1-ylethyl) 2-(2-fluorophenoxy)acetate
CID 23885124

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-fluorophenoxy)-1-(azepan-1-yl)ethanone?
The IUPAC name of 2-(4-amino-2-fluorophenoxy)-1-(azepan-1-yl)ethanone (CID 43259286) is 2-(4-amino-2-fluorophenoxy)-1-(azepan-1-yl)ethanone.
What is the SMILES notation for 2-(4-amino-2-fluorophenoxy)-1-(azepan-1-yl)ethanone?
The canonical SMILES for 2-(4-amino-2-fluorophenoxy)-1-(azepan-1-yl)ethanone is Nc1ccc(OCC(=O)N2CCCCCC2)c(F)c1.
What is the InChIKey of 2-(4-amino-2-fluorophenoxy)-1-(azepan-1-yl)ethanone?
The InChIKey is GQKVXLBNACHDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c15-12-9-11(16)5-6-13(12)19-10-14(18)17-7-3-1-2-4-8-17/h5-6,9H,1-4,7-8,10,16H2.
What are the key properties of 2-(4-amino-2-fluorophenoxy)-1-(azepan-1-yl)ethanone?
2-(4-amino-2-fluorophenoxy)-1-(azepan-1-yl)ethanone has a molecular weight of 266.32 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-fluorophenoxy)-1-(azepan-1-yl)ethanone is sourced from PubChem (CID 43259286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).