2-(cyclopropylamino)-1-(2-ethoxyphenyl)ethanone

C13H17NO2 — CID 82102218

IUPAC2-(cyclopropylamino)-1-(2-ethoxyphenyl)ethanone
SMILESCCOc1ccccc1C(=O)CNC1CC1
InChIInChI=1S/C13H17NO2/c1-2-16-13-6-4-3-5-11(13)12(15)9-14-10-7-8-10/h3-6,10,14H,2,7-9H2,1H3
InChIKeyQMJLGGUUEZSIFQ-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.02
Rot. Bonds6

About 2-(cyclopropylamino)-1-(2-ethoxyphenyl)ethanone

2-(cyclopropylamino)-1-(2-ethoxyphenyl)ethanone (PubChem CID 82102218) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-(cyclopropylamino)-1-(2-ethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(cyclopropylamino)-1-(2-ethoxyphenyl)ethanone
PubChem CID82102218
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-(cyclopropylamino)-1-(2-ethoxyphenyl)ethanone
SMILESCCOc1ccccc1C(=O)CNC1CC1
InChIInChI=1S/C13H17NO2/c1-2-16-13-6-4-3-5-11(13)12(15)9-14-10-7-8-10/h3-6,10,14H,2,7-9H2,1H3
InChIKeyQMJLGGUUEZSIFQ-UHFFFAOYSA-N
XLogP2.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopentylamino)-1-(2-propoxyphenyl)ethanone
CID 116558980
3-(cyclopropylamino)-1-(2-propoxyphenyl)propan-1-one
CID 116559237
2-cyclopentyl-1-(2-ethoxyphenyl)ethanone
CID 115533350
3-(2-ethoxyphenyl)-3-oxopropanoic acid
CID 170886850
2-(cyclopropylamino)-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide
CID 54873700
ethane;1-(2-ethoxyphenyl)propan-1-one
CID 145111899
1-(2-ethoxyphenyl)pentane-1,3-dione
CID 28896176
3-(2-ethoxyphenyl)-3-oxopropanamide
CID 76851157
N-[2-(cycloheptylamino)ethyl]-2-ethoxybenzamide;hydrochloride
CID 119620937
(2-ethoxyphenyl)-[4-(2-methylpropylamino)cycloheptyl]methanone
CID 57098277
1-(3-amino-4-ethoxyphenyl)-2-(cyclopropylamino)ethanone
CID 82258597
1-(2-ethoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanone
CID 43796226

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-1-(2-ethoxyphenyl)ethanone?
The IUPAC name of 2-(cyclopropylamino)-1-(2-ethoxyphenyl)ethanone (CID 82102218) is 2-(cyclopropylamino)-1-(2-ethoxyphenyl)ethanone.
What is the SMILES notation for 2-(cyclopropylamino)-1-(2-ethoxyphenyl)ethanone?
The canonical SMILES for 2-(cyclopropylamino)-1-(2-ethoxyphenyl)ethanone is CCOc1ccccc1C(=O)CNC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-1-(2-ethoxyphenyl)ethanone?
The InChIKey is QMJLGGUUEZSIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-2-16-13-6-4-3-5-11(13)12(15)9-14-10-7-8-10/h3-6,10,14H,2,7-9H2,1H3.
What are the key properties of 2-(cyclopropylamino)-1-(2-ethoxyphenyl)ethanone?
2-(cyclopropylamino)-1-(2-ethoxyphenyl)ethanone has a molecular weight of 219.28 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-1-(2-ethoxyphenyl)ethanone is sourced from PubChem (CID 82102218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).