1-[2-[2-[cyclopropyl(ethyl)amino]ethoxy]phenyl]ethanone

C15H21NO2 — CID 43426605

IUPAC1-[2-[2-[cyclopropyl(ethyl)amino]ethoxy]phenyl]ethanone
SMILESCCN(CCOc1ccccc1C(C)=O)C1CC1
InChIInChI=1S/C15H21NO2/c1-3-16(13-8-9-13)10-11-18-15-7-5-4-6-14(15)12(2)17/h4-7,13H,3,8-11H2,1-2H3
InChIKeyVLGCQKUYIVNHCS-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.75
Rot. Bonds7

About 1-[2-[2-[cyclopropyl(ethyl)amino]ethoxy]phenyl]ethanone

1-[2-[2-[cyclopropyl(ethyl)amino]ethoxy]phenyl]ethanone (PubChem CID 43426605) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[2-[2-[cyclopropyl(ethyl)amino]ethoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[2-[cyclopropyl(ethyl)amino]ethoxy]phenyl]ethanone
PubChem CID43426605
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[2-[2-[cyclopropyl(ethyl)amino]ethoxy]phenyl]ethanone
SMILESCCN(CCOc1ccccc1C(C)=O)C1CC1
InChIInChI=1S/C15H21NO2/c1-3-16(13-8-9-13)10-11-18-15-7-5-4-6-14(15)12(2)17/h4-7,13H,3,8-11H2,1-2H3
InChIKeyVLGCQKUYIVNHCS-UHFFFAOYSA-N
XLogP2.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
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-[2-[ethyl(pyrrolidin-3-yl)amino]ethoxy]phenyl]ethanone
CID 63300204
1-[2-[2-[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]amino]ethoxy]phenyl]ethanone
CID 94177929
2-[2-[cyclopentyl(ethyl)amino]ethoxy]benzohydrazide
CID 63574053
1-[2-[2-[cycloheptyl(methyl)amino]ethoxy]phenyl]ethanone
CID 43233074
2-[2-[cyclopropyl(2-hydroxyethyl)amino]ethoxy]benzoic acid
CID 54994962
1-[2-[2-[cyclopropylmethyl(propyl)amino]ethoxy]phenyl]ethanone
CID 60689525
N-[2-(2-acetylphenoxy)ethyl]-N-methylacetamide
CID 82037362
1-[2-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]ethanone
CID 55125855
4-N-ethyl-4-N-[2-(2-methoxyphenoxy)ethyl]cyclohexane-1,4-diamine
CID 79114793
1-[2-[2-[cyclopropylmethyl(propan-2-yl)amino]ethoxy]phenyl]ethanone
CID 60966894
1-[2-[2-[ethyl(oxolan-2-ylmethyl)amino]ethoxy]phenyl]ethanone
CID 61434391
1-[2-[2-[methyl-(1-methylpiperidin-3-yl)amino]ethoxy]phenyl]ethanone
CID 62547332

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[cyclopropyl(ethyl)amino]ethoxy]phenyl]ethanone?
The IUPAC name of 1-[2-[2-[cyclopropyl(ethyl)amino]ethoxy]phenyl]ethanone (CID 43426605) is 1-[2-[2-[cyclopropyl(ethyl)amino]ethoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-[2-[cyclopropyl(ethyl)amino]ethoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-[2-[cyclopropyl(ethyl)amino]ethoxy]phenyl]ethanone is CCN(CCOc1ccccc1C(C)=O)C1CC1.
What is the InChIKey of 1-[2-[2-[cyclopropyl(ethyl)amino]ethoxy]phenyl]ethanone?
The InChIKey is VLGCQKUYIVNHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-16(13-8-9-13)10-11-18-15-7-5-4-6-14(15)12(2)17/h4-7,13H,3,8-11H2,1-2H3.
What are the key properties of 1-[2-[2-[cyclopropyl(ethyl)amino]ethoxy]phenyl]ethanone?
1-[2-[2-[cyclopropyl(ethyl)amino]ethoxy]phenyl]ethanone has a molecular weight of 247.34 g/mol, XLogP of 2.75, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[cyclopropyl(ethyl)amino]ethoxy]phenyl]ethanone is sourced from PubChem (CID 43426605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).