(3-amino-4-ethoxyphenyl)-cyclopropylmethanone

C12H15NO2 — CID 82152472

IUPAC(3-amino-4-ethoxyphenyl)-cyclopropylmethanone
SMILESCCOc1ccc(C(=O)C2CC2)cc1N
InChIInChI=1S/C12H15NO2/c1-2-15-11-6-5-9(7-10(11)13)12(14)8-3-4-8/h5-8H,2-4,13H2,1H3
InChIKeyCPEPEKRQPMEZDX-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.26
Rot. Bonds4

About (3-amino-4-ethoxyphenyl)-cyclopropylmethanone

(3-amino-4-ethoxyphenyl)-cyclopropylmethanone (PubChem CID 82152472) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (3-amino-4-ethoxyphenyl)-cyclopropylmethanone.

Molecular Properties

Compound Name(3-amino-4-ethoxyphenyl)-cyclopropylmethanone
PubChem CID82152472
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(3-amino-4-ethoxyphenyl)-cyclopropylmethanone
SMILESCCOc1ccc(C(=O)C2CC2)cc1N
InChIInChI=1S/C12H15NO2/c1-2-15-11-6-5-9(7-10(11)13)12(14)8-3-4-8/h5-8H,2-4,13H2,1H3
InChIKeyCPEPEKRQPMEZDX-UHFFFAOYSA-N
XLogP2.26
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(4-aminocyclohexyl)-(3,4-diethoxyphenyl)methanone
CID 116557438
(3-amino-4-propoxyphenyl)-(4-butylcyclohexyl)methanone
CID 94759005
(3-tert-butyl-4-ethoxyphenyl)-cyclopropylmethanone
CID 82263872
(3-amino-4-propan-2-yloxyphenyl)-cyclopropylmethanone
CID 82152488
3-amino-N-cyclopropyl-4-ethoxy-N-ethylbenzamide
CID 61095549
3-amino-N-cyclohexyl-4-ethoxybenzamide
CID 28689929
1-(3-amino-4-ethoxyphenyl)-2-(cyclopropylamino)ethanone
CID 82258597
(4-ethoxy-3-methylphenyl)-piperidin-4-ylmethanone
CID 82295897
(3-amino-4-ethoxyphenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 28689913
3-amino-4-ethoxy-N-(4-hydroxycyclohexyl)benzamide
CID 61089801
(3-amino-4-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 61094073
3-amino-N-(2,6-dimethylpiperidin-1-yl)-4-ethoxybenzamide
CID 83003513

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-ethoxyphenyl)-cyclopropylmethanone?
The IUPAC name of (3-amino-4-ethoxyphenyl)-cyclopropylmethanone (CID 82152472) is (3-amino-4-ethoxyphenyl)-cyclopropylmethanone.
What is the SMILES notation for (3-amino-4-ethoxyphenyl)-cyclopropylmethanone?
The canonical SMILES for (3-amino-4-ethoxyphenyl)-cyclopropylmethanone is CCOc1ccc(C(=O)C2CC2)cc1N.
What is the InChIKey of (3-amino-4-ethoxyphenyl)-cyclopropylmethanone?
The InChIKey is CPEPEKRQPMEZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-2-15-11-6-5-9(7-10(11)13)12(14)8-3-4-8/h5-8H,2-4,13H2,1H3.
What are the key properties of (3-amino-4-ethoxyphenyl)-cyclopropylmethanone?
(3-amino-4-ethoxyphenyl)-cyclopropylmethanone has a molecular weight of 205.26 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-ethoxyphenyl)-cyclopropylmethanone is sourced from PubChem (CID 82152472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).