(4-aminooxan-4-yl)-(2-fluoro-5-methylphenyl)methanone

C13H16FNO2 — CID 116604587

IUPAC(4-aminooxan-4-yl)-(2-fluoro-5-methylphenyl)methanone
SMILESCc1ccc(F)c(C(=O)C2(N)CCOCC2)c1
InChIInChI=1S/C13H16FNO2/c1-9-2-3-11(14)10(8-9)12(16)13(15)4-6-17-7-5-13/h2-3,8H,4-7,15H2,1H3
InChIKeyUNMFNGKVIYIQDM-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.82
Rot. Bonds2

About (4-aminooxan-4-yl)-(2-fluoro-5-methylphenyl)methanone

(4-aminooxan-4-yl)-(2-fluoro-5-methylphenyl)methanone (PubChem CID 116604587) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is (4-aminooxan-4-yl)-(2-fluoro-5-methylphenyl)methanone.

Molecular Properties

Compound Name(4-aminooxan-4-yl)-(2-fluoro-5-methylphenyl)methanone
PubChem CID116604587
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name(4-aminooxan-4-yl)-(2-fluoro-5-methylphenyl)methanone
SMILESCc1ccc(F)c(C(=O)C2(N)CCOCC2)c1
InChIInChI=1S/C13H16FNO2/c1-9-2-3-11(14)10(8-9)12(16)13(15)4-6-17-7-5-13/h2-3,8H,4-7,15H2,1H3
InChIKeyUNMFNGKVIYIQDM-UHFFFAOYSA-N
XLogP1.82
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-aminooxan-4-yl)-(2,5-dichlorophenyl)methanone
CID 116604624
N-[4-(chloromethyl)oxan-4-yl]-2-fluoro-5-methylbenzamide
CID 114170560
(1-aminocyclobutyl)-(2-chloro-5-methylphenyl)methanone
CID 130631204
(4-aminooxan-4-yl)-(4-methoxy-2-methylphenyl)methanone
CID 116604665
[1-(4-aminophenyl)cyclopropyl]-(2-fluoro-5-methylphenyl)methanone
CID 116611701
(4-aminooxan-4-yl)-(3,4-dimethylphenyl)methanone
CID 116604621
(2-fluoro-5-methylphenyl)-(1-phenylcyclopropyl)methanone
CID 55181920
ethane;(2-fluoro-5-methylphenyl)-morpholin-4-ylmethanone
CID 145081702
(4-aminooxan-4-yl)-(3-fluorophenyl)methanone
CID 116604684
4-(2-fluoro-5-methylphenyl)oxepan-4-amine
CID 65077062
(2-amino-5-methyl-3-pyridinyl)-(3-aminooxolan-3-yl)methanone
CID 116579697
4-amino-N-(4-methylphenyl)oxane-4-carboxamide
CID 113280557

Frequently Asked Questions

What is the IUPAC name of (4-aminooxan-4-yl)-(2-fluoro-5-methylphenyl)methanone?
The IUPAC name of (4-aminooxan-4-yl)-(2-fluoro-5-methylphenyl)methanone (CID 116604587) is (4-aminooxan-4-yl)-(2-fluoro-5-methylphenyl)methanone.
What is the SMILES notation for (4-aminooxan-4-yl)-(2-fluoro-5-methylphenyl)methanone?
The canonical SMILES for (4-aminooxan-4-yl)-(2-fluoro-5-methylphenyl)methanone is Cc1ccc(F)c(C(=O)C2(N)CCOCC2)c1.
What is the InChIKey of (4-aminooxan-4-yl)-(2-fluoro-5-methylphenyl)methanone?
The InChIKey is UNMFNGKVIYIQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-9-2-3-11(14)10(8-9)12(16)13(15)4-6-17-7-5-13/h2-3,8H,4-7,15H2,1H3.
What are the key properties of (4-aminooxan-4-yl)-(2-fluoro-5-methylphenyl)methanone?
(4-aminooxan-4-yl)-(2-fluoro-5-methylphenyl)methanone has a molecular weight of 237.27 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminooxan-4-yl)-(2-fluoro-5-methylphenyl)methanone is sourced from PubChem (CID 116604587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).