(4-aminooxan-4-yl)-(3,4-dimethylphenyl)methanone

C14H19NO2 — CID 116604621

IUPAC(4-aminooxan-4-yl)-(3,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)C2(N)CCOCC2)cc1C
InChIInChI=1S/C14H19NO2/c1-10-3-4-12(9-11(10)2)13(16)14(15)5-7-17-8-6-14/h3-4,9H,5-8,15H2,1-2H3
InChIKeyPRMZXDGWDMYGES-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.99
Rot. Bonds2

About (4-aminooxan-4-yl)-(3,4-dimethylphenyl)methanone

(4-aminooxan-4-yl)-(3,4-dimethylphenyl)methanone (PubChem CID 116604621) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (4-aminooxan-4-yl)-(3,4-dimethylphenyl)methanone.

Molecular Properties

Compound Name(4-aminooxan-4-yl)-(3,4-dimethylphenyl)methanone
PubChem CID116604621
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(4-aminooxan-4-yl)-(3,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)C2(N)CCOCC2)cc1C
InChIInChI=1S/C14H19NO2/c1-10-3-4-12(9-11(10)2)13(16)14(15)5-7-17-8-6-14/h3-4,9H,5-8,15H2,1-2H3
InChIKeyPRMZXDGWDMYGES-UHFFFAOYSA-N
XLogP1.99
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-aminooxan-4-yl)-(4-methoxy-2-methylphenyl)methanone
CID 116604665
(4-aminooxan-4-yl)-(6-methyl-3-pyridinyl)methanone
CID 116604510
(4-aminooxan-4-yl)-(3-fluorophenyl)methanone
CID 116604684
3-amino-N-(3,4-dimethylphenyl)oxolane-3-carboxamide
CID 64891886
(4-aminooxan-4-yl)-(2-fluoro-5-methylphenyl)methanone
CID 116604587
(1-aminocyclopentyl)-(2,4,5-trimethylphenyl)methanone
CID 116558695
(3,4-dimethylphenyl)-(1-hydroxycyclopentyl)methanone
CID 103447660
3,4-dimethyl-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide
CID 122276326
1-(3,4-dimethylphenyl)-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethanone
CID 114950501
4-[(3,4-dimethylphenyl)methyl]oxane-4-carboxylic acid
CID 55132767
(3,4-dimethylphenyl)-[3-(hydroxymethyl)oxetan-3-yl]methanone
CID 116922540
(4-aminooxan-4-yl)-(2,5-dichlorophenyl)methanone
CID 116604624

Frequently Asked Questions

What is the IUPAC name of (4-aminooxan-4-yl)-(3,4-dimethylphenyl)methanone?
The IUPAC name of (4-aminooxan-4-yl)-(3,4-dimethylphenyl)methanone (CID 116604621) is (4-aminooxan-4-yl)-(3,4-dimethylphenyl)methanone.
What is the SMILES notation for (4-aminooxan-4-yl)-(3,4-dimethylphenyl)methanone?
The canonical SMILES for (4-aminooxan-4-yl)-(3,4-dimethylphenyl)methanone is Cc1ccc(C(=O)C2(N)CCOCC2)cc1C.
What is the InChIKey of (4-aminooxan-4-yl)-(3,4-dimethylphenyl)methanone?
The InChIKey is PRMZXDGWDMYGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-3-4-12(9-11(10)2)13(16)14(15)5-7-17-8-6-14/h3-4,9H,5-8,15H2,1-2H3.
What are the key properties of (4-aminooxan-4-yl)-(3,4-dimethylphenyl)methanone?
(4-aminooxan-4-yl)-(3,4-dimethylphenyl)methanone has a molecular weight of 233.31 g/mol, XLogP of 1.99, 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)-(3,4-dimethylphenyl)methanone is sourced from PubChem (CID 116604621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).