1-[2-[methyl(oxan-4-ylmethyl)amino]phenyl]ethanone

C15H21NO2 — CID 63711871

IUPAC1-[2-[methyl(oxan-4-ylmethyl)amino]phenyl]ethanone
SMILESCC(=O)c1ccccc1N(C)CC1CCOCC1
InChIInChI=1S/C15H21NO2/c1-12(17)14-5-3-4-6-15(14)16(2)11-13-7-9-18-10-8-13/h3-6,13H,7-11H2,1-2H3
InChIKeyQZTMNZUTGQYLQT-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.75
Rot. Bonds4

About 1-[2-[methyl(oxan-4-ylmethyl)amino]phenyl]ethanone

1-[2-[methyl(oxan-4-ylmethyl)amino]phenyl]ethanone (PubChem CID 63711871) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[2-[methyl(oxan-4-ylmethyl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[methyl(oxan-4-ylmethyl)amino]phenyl]ethanone
PubChem CID63711871
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[2-[methyl(oxan-4-ylmethyl)amino]phenyl]ethanone
SMILESCC(=O)c1ccccc1N(C)CC1CCOCC1
InChIInChI=1S/C15H21NO2/c1-12(17)14-5-3-4-6-15(14)16(2)11-13-7-9-18-10-8-13/h3-6,13H,7-11H2,1-2H3
InChIKeyQZTMNZUTGQYLQT-UHFFFAOYSA-N
XLogP2.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[methyl(oxan-3-ylmethyl)amino]phenyl]ethanone
CID 63711171
2-[cyclopentylmethyl(methyl)amino]benzoic acid
CID 63632821
5-methyl-2-[methyl(oxan-4-ylmethyl)amino]benzoic acid
CID 55227035
2-[cyclohexylmethyl(methyl)amino]benzoic acid
CID 61446190
3-methyl-2-[methyl(oxan-4-ylmethyl)amino]benzoic acid
CID 107112201
1-[2-[cyclopropyl(cyclopropylmethyl)amino]phenyl]ethanone
CID 64520568
N-methyl-N-(oxan-4-ylmethyl)-2,2-diphenylacetamide
CID 110752410
2-[(1S)-1-aminopropyl]-N-methyl-N-(oxan-4-ylmethyl)aniline
CID 103958935
3-[methyl(oxan-4-ylmethyl)amino]-1-(2-methylphenyl)propan-1-one
CID 63711302
2-(1-aminopropyl)-N-methyl-N-(oxan-4-ylmethyl)aniline
CID 112678152
1-(2-bromophenyl)-2-[methyl(oxan-4-ylmethyl)amino]ethanone
CID 63713643
(1S)-1-[2-fluoro-6-[methyl(oxan-4-ylmethyl)amino]phenyl]ethanol
CID 78948278

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl(oxan-4-ylmethyl)amino]phenyl]ethanone?
The IUPAC name of 1-[2-[methyl(oxan-4-ylmethyl)amino]phenyl]ethanone (CID 63711871) is 1-[2-[methyl(oxan-4-ylmethyl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[2-[methyl(oxan-4-ylmethyl)amino]phenyl]ethanone?
The canonical SMILES for 1-[2-[methyl(oxan-4-ylmethyl)amino]phenyl]ethanone is CC(=O)c1ccccc1N(C)CC1CCOCC1.
What is the InChIKey of 1-[2-[methyl(oxan-4-ylmethyl)amino]phenyl]ethanone?
The InChIKey is QZTMNZUTGQYLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12(17)14-5-3-4-6-15(14)16(2)11-13-7-9-18-10-8-13/h3-6,13H,7-11H2,1-2H3.
What are the key properties of 1-[2-[methyl(oxan-4-ylmethyl)amino]phenyl]ethanone?
1-[2-[methyl(oxan-4-ylmethyl)amino]phenyl]ethanone has a molecular weight of 247.34 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl(oxan-4-ylmethyl)amino]phenyl]ethanone is sourced from PubChem (CID 63711871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).