1-[2-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]ethanone

C16H23NO2 — CID 55125855

IUPAC1-[2-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OCCN(C)CC1CCC1
InChIInChI=1S/C16H23NO2/c1-13(18)15-8-3-4-9-16(15)19-11-10-17(2)12-14-6-5-7-14/h3-4,8-9,14H,5-7,10-12H2,1-2H3
InChIKeyIBHPEPDUAWMPAJ-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.00
Rot. Bonds7

About 1-[2-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]ethanone

1-[2-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]ethanone (PubChem CID 55125855) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[2-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]ethanone
PubChem CID55125855
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-[2-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OCCN(C)CC1CCC1
InChIInChI=1S/C16H23NO2/c1-13(18)15-8-3-4-9-16(15)19-11-10-17(2)12-14-6-5-7-14/h3-4,8-9,14H,5-7,10-12H2,1-2H3
InChIKeyIBHPEPDUAWMPAJ-UHFFFAOYSA-N
XLogP3.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[2-[cycloheptyl(methyl)amino]ethoxy]phenyl]ethanone
CID 43233074
1-[2-[2-[methyl-(1-methylpiperidin-3-yl)amino]ethoxy]phenyl]ethanone
CID 62547332
1-[2-[2-[cyclopropylmethyl(propyl)amino]ethoxy]phenyl]ethanone
CID 60689525
1-[2-[2-[cyclopropylmethyl(propan-2-yl)amino]ethoxy]phenyl]ethanone
CID 60966894
N-[2-(2-acetylphenoxy)ethyl]-N-methylacetamide
CID 82037362
1-[2-[2-[cyclopropyl(ethyl)amino]ethoxy]phenyl]ethanone
CID 43426605
1-[2-[2-[3-hydroxybutyl(methyl)amino]ethoxy]phenyl]ethanone
CID 115665999
1-[2-[2-[methyl(pyridin-4-ylmethyl)amino]ethoxy]phenyl]ethanone
CID 62052597
1-[2-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxy]phenyl]ethanone
CID 62050829
2-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethoxy]benzoic acid
CID 63866226
1-[2-[2-[ethyl(oxolan-2-ylmethyl)amino]ethoxy]phenyl]ethanone
CID 61434391
1-[2-[2-[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]amino]ethoxy]phenyl]ethanone
CID 94177929

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]ethanone?
The IUPAC name of 1-[2-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]ethanone (CID 55125855) is 1-[2-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]ethanone is CC(=O)c1ccccc1OCCN(C)CC1CCC1.
What is the InChIKey of 1-[2-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]ethanone?
The InChIKey is IBHPEPDUAWMPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-13(18)15-8-3-4-9-16(15)19-11-10-17(2)12-14-6-5-7-14/h3-4,8-9,14H,5-7,10-12H2,1-2H3.
What are the key properties of 1-[2-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]ethanone?
1-[2-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]ethanone has a molecular weight of 261.37 g/mol, XLogP of 3.00, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]ethanone is sourced from PubChem (CID 55125855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).