2-methyl-3-[methyl(oxan-4-ylmethyl)amino]-1-phenylpropan-1-one

C17H25NO2 — CID 63712860

IUPAC2-methyl-3-[methyl(oxan-4-ylmethyl)amino]-1-phenylpropan-1-one
SMILESCC(CN(C)CC1CCOCC1)C(=O)c1ccccc1
InChIInChI=1S/C17H25NO2/c1-14(17(19)16-6-4-3-5-7-16)12-18(2)13-15-8-10-20-11-9-15/h3-7,14-15H,8-13H2,1-2H3
InChIKeyFHIYSLMWONVHEE-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.86
Rot. Bonds6

About 2-methyl-3-[methyl(oxan-4-ylmethyl)amino]-1-phenylpropan-1-one

2-methyl-3-[methyl(oxan-4-ylmethyl)amino]-1-phenylpropan-1-one (PubChem CID 63712860) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-methyl-3-[methyl(oxan-4-ylmethyl)amino]-1-phenylpropan-1-one.

Molecular Properties

Compound Name2-methyl-3-[methyl(oxan-4-ylmethyl)amino]-1-phenylpropan-1-one
PubChem CID63712860
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-methyl-3-[methyl(oxan-4-ylmethyl)amino]-1-phenylpropan-1-one
SMILESCC(CN(C)CC1CCOCC1)C(=O)c1ccccc1
InChIInChI=1S/C17H25NO2/c1-14(17(19)16-6-4-3-5-7-16)12-18(2)13-15-8-10-20-11-9-15/h3-7,14-15H,8-13H2,1-2H3
InChIKeyFHIYSLMWONVHEE-UHFFFAOYSA-N
XLogP2.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 123698
1-Propanone, 3-(dimethylamino)-1-phenyl-, hydrochloride (1:1)
CID 92844
3-Piperidinopropiophenone hydrochloride
CID 70171
1-(4-Ethylphenyl)-2-methyl-3-(1-pyrrolidinyl)-1-propanone
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3-Morpholinopropiophenone hydrochloride
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1-Phenyl-5-(piperidin-1-yl)pentan-1-one
CID 262634
4-(4-Butylpiperidin-1-yl)-1-(2-methylphenyl)butan-1-one
CID 9948320
3-[Methyl(3-oxo-3-phenylpropyl)amino]-1-phenylpropan-1-one
CID 408365

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl(oxan-4-ylmethyl)amino]-1-phenylpropan-1-one?
The IUPAC name of 2-methyl-3-[methyl(oxan-4-ylmethyl)amino]-1-phenylpropan-1-one (CID 63712860) is 2-methyl-3-[methyl(oxan-4-ylmethyl)amino]-1-phenylpropan-1-one.
What is the SMILES notation for 2-methyl-3-[methyl(oxan-4-ylmethyl)amino]-1-phenylpropan-1-one?
The canonical SMILES for 2-methyl-3-[methyl(oxan-4-ylmethyl)amino]-1-phenylpropan-1-one is CC(CN(C)CC1CCOCC1)C(=O)c1ccccc1.
What is the InChIKey of 2-methyl-3-[methyl(oxan-4-ylmethyl)amino]-1-phenylpropan-1-one?
The InChIKey is FHIYSLMWONVHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-14(17(19)16-6-4-3-5-7-16)12-18(2)13-15-8-10-20-11-9-15/h3-7,14-15H,8-13H2,1-2H3.
What are the key properties of 2-methyl-3-[methyl(oxan-4-ylmethyl)amino]-1-phenylpropan-1-one?
2-methyl-3-[methyl(oxan-4-ylmethyl)amino]-1-phenylpropan-1-one has a molecular weight of 275.39 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl(oxan-4-ylmethyl)amino]-1-phenylpropan-1-one is sourced from PubChem (CID 63712860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).