1-[4-(oxan-2-ylmethylamino)phenyl]ethanone

C14H19NO2 — CID 115574155

IUPAC1-[4-(oxan-2-ylmethylamino)phenyl]ethanone
SMILESCC(=O)c1ccc(NCC2CCCCO2)cc1
InChIInChI=1S/C14H19NO2/c1-11(16)12-5-7-13(8-6-12)15-10-14-4-2-3-9-17-14/h5-8,14-15H,2-4,9-10H2,1H3
InChIKeyCCRAQUISJJNFEN-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.87
Rot. Bonds4

About 1-[4-(oxan-2-ylmethylamino)phenyl]ethanone

1-[4-(oxan-2-ylmethylamino)phenyl]ethanone (PubChem CID 115574155) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[4-(oxan-2-ylmethylamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(oxan-2-ylmethylamino)phenyl]ethanone
PubChem CID115574155
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-[4-(oxan-2-ylmethylamino)phenyl]ethanone
SMILESCC(=O)c1ccc(NCC2CCCCO2)cc1
InChIInChI=1S/C14H19NO2/c1-11(16)12-5-7-13(8-6-12)15-10-14-4-2-3-9-17-14/h5-8,14-15H,2-4,9-10H2,1H3
InChIKeyCCRAQUISJJNFEN-UHFFFAOYSA-N
XLogP2.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(oxolan-2-ylmethylamino)benzamide
CID 43179718
1-[4-[[(2R)-oxolan-2-yl]methylamino]phenyl]butan-1-one
CID 25127473
4-iodo-N-(oxan-2-ylmethyl)aniline
CID 43403484
N-(4-acetylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252625
1-[2-amino-5-(oxolan-2-ylmethylamino)phenyl]ethanone
CID 104612228
1-[4-(oxolan-2-ylmethylamino)phenyl]-3-propan-2-ylurea
CID 112981227
N-[4-(oxolan-2-ylmethylamino)phenyl]butanamide
CID 112981160
4-butyl-N-(oxan-2-ylmethyl)aniline
CID 43403485
3-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]butanamide
CID 112981162
1-N-(4-acetylphenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109133579
[4-(oxolan-2-ylmethylamino)phenyl]methanol
CID 83962258
N-[4-(oxolan-2-ylmethylamino)phenyl]methanesulfonamide
CID 82833910

Frequently Asked Questions

What is the IUPAC name of 1-[4-(oxan-2-ylmethylamino)phenyl]ethanone?
The IUPAC name of 1-[4-(oxan-2-ylmethylamino)phenyl]ethanone (CID 115574155) is 1-[4-(oxan-2-ylmethylamino)phenyl]ethanone.
What is the SMILES notation for 1-[4-(oxan-2-ylmethylamino)phenyl]ethanone?
The canonical SMILES for 1-[4-(oxan-2-ylmethylamino)phenyl]ethanone is CC(=O)c1ccc(NCC2CCCCO2)cc1.
What is the InChIKey of 1-[4-(oxan-2-ylmethylamino)phenyl]ethanone?
The InChIKey is CCRAQUISJJNFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11(16)12-5-7-13(8-6-12)15-10-14-4-2-3-9-17-14/h5-8,14-15H,2-4,9-10H2,1H3.
What are the key properties of 1-[4-(oxan-2-ylmethylamino)phenyl]ethanone?
1-[4-(oxan-2-ylmethylamino)phenyl]ethanone has a molecular weight of 233.31 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(oxan-2-ylmethylamino)phenyl]ethanone is sourced from PubChem (CID 115574155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).