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

C17H25NO2 — CID 63711302

IUPAC3-[methyl(oxan-4-ylmethyl)amino]-1-(2-methylphenyl)propan-1-one
SMILESCc1ccccc1C(=O)CCN(C)CC1CCOCC1
InChIInChI=1S/C17H25NO2/c1-14-5-3-4-6-16(14)17(19)7-10-18(2)13-15-8-11-20-12-9-15/h3-6,15H,7-13H2,1-2H3
InChIKeyQXTBQWQUUNRLBG-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.93
Rot. Bonds6

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

3-[methyl(oxan-4-ylmethyl)amino]-1-(2-methylphenyl)propan-1-one (PubChem CID 63711302) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-[methyl(oxan-4-ylmethyl)amino]-1-(2-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-[methyl(oxan-4-ylmethyl)amino]-1-(2-methylphenyl)propan-1-one
PubChem CID63711302
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name3-[methyl(oxan-4-ylmethyl)amino]-1-(2-methylphenyl)propan-1-one
SMILESCc1ccccc1C(=O)CCN(C)CC1CCOCC1
InChIInChI=1S/C17H25NO2/c1-14-5-3-4-6-16(14)17(19)7-10-18(2)13-15-8-11-20-12-9-15/h3-6,15H,7-13H2,1-2H3
InChIKeyQXTBQWQUUNRLBG-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1-(2-methylphenyl)propan-1-one
CID 63274696
1-(2-bromophenyl)-2-[methyl(oxan-4-ylmethyl)amino]ethanone
CID 63713643
3-methyl-2-[methyl(oxan-4-ylmethyl)amino]benzoic acid
CID 107112201
1-(5-fluoro-2-pyridinyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-one
CID 83126274
N-methyl-2-(2-methylphenyl)-N-(oxan-4-ylmethyl)acetamide
CID 91914999
N-(2-aminophenyl)-3-[methyl(oxan-4-ylmethyl)amino]propanamide
CID 63725564
1-(4-bromophenyl)-4-[methyl(oxan-4-ylmethyl)amino]butan-1-one
CID 63711732
1-[2-[methyl(oxan-4-ylmethyl)amino]phenyl]ethanone
CID 63711871
2-fluoro-3-[[methyl(oxan-4-ylmethyl)amino]methyl]benzoic acid
CID 107119509
3-(2,6-dimethylphenyl)-1-methyl-1-(oxan-4-ylmethyl)urea
CID 91905258
3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-phenylpropan-1-one
CID 63236356
N-methyl-N-(oxan-4-ylmethyl)-2,2-diphenylacetamide
CID 110752410

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(oxan-4-ylmethyl)amino]-1-(2-methylphenyl)propan-1-one?
The IUPAC name of 3-[methyl(oxan-4-ylmethyl)amino]-1-(2-methylphenyl)propan-1-one (CID 63711302) is 3-[methyl(oxan-4-ylmethyl)amino]-1-(2-methylphenyl)propan-1-one.
What is the SMILES notation for 3-[methyl(oxan-4-ylmethyl)amino]-1-(2-methylphenyl)propan-1-one?
The canonical SMILES for 3-[methyl(oxan-4-ylmethyl)amino]-1-(2-methylphenyl)propan-1-one is Cc1ccccc1C(=O)CCN(C)CC1CCOCC1.
What is the InChIKey of 3-[methyl(oxan-4-ylmethyl)amino]-1-(2-methylphenyl)propan-1-one?
The InChIKey is QXTBQWQUUNRLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-14-5-3-4-6-16(14)17(19)7-10-18(2)13-15-8-11-20-12-9-15/h3-6,15H,7-13H2,1-2H3.
What are the key properties of 3-[methyl(oxan-4-ylmethyl)amino]-1-(2-methylphenyl)propan-1-one?
3-[methyl(oxan-4-ylmethyl)amino]-1-(2-methylphenyl)propan-1-one has a molecular weight of 275.39 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(oxan-4-ylmethyl)amino]-1-(2-methylphenyl)propan-1-one is sourced from PubChem (CID 63711302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).