1-(3-amino-4-ethoxyphenyl)-2-(cyclopropylamino)ethanone

C13H18N2O2 — CID 82258597

IUPAC1-(3-amino-4-ethoxyphenyl)-2-(cyclopropylamino)ethanone
SMILESCCOc1ccc(C(=O)CNC2CC2)cc1N
InChIInChI=1S/C13H18N2O2/c1-2-17-13-6-3-9(7-11(13)14)12(16)8-15-10-4-5-10/h3,6-7,10,15H,2,4-5,8,14H2,1H3
InChIKeyROBPBEHGMKTTJM-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.60
Rot. Bonds6

About 1-(3-amino-4-ethoxyphenyl)-2-(cyclopropylamino)ethanone

1-(3-amino-4-ethoxyphenyl)-2-(cyclopropylamino)ethanone (PubChem CID 82258597) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(3-amino-4-ethoxyphenyl)-2-(cyclopropylamino)ethanone.

Molecular Properties

Compound Name1-(3-amino-4-ethoxyphenyl)-2-(cyclopropylamino)ethanone
PubChem CID82258597
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-(3-amino-4-ethoxyphenyl)-2-(cyclopropylamino)ethanone
SMILESCCOc1ccc(C(=O)CNC2CC2)cc1N
InChIInChI=1S/C13H18N2O2/c1-2-17-13-6-3-9(7-11(13)14)12(16)8-15-10-4-5-10/h3,6-7,10,15H,2,4-5,8,14H2,1H3
InChIKeyROBPBEHGMKTTJM-UHFFFAOYSA-N
XLogP1.60
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-amino-4-ethoxyphenyl)-2-(methylamino)ethanone
CID 82258591
3-amino-4-ethoxy-N-(4-hydroxycyclohexyl)benzamide
CID 61089801
3-amino-N-cyclohexyl-4-ethoxybenzamide
CID 28689929
(3-amino-4-ethoxyphenyl)-cyclopropylmethanone
CID 82152472
1-(3-amino-4-ethoxyphenyl)-2-(3-ethoxypropylamino)ethanone
CID 82258588
[2-(cyclopropylamino)-2-oxoethyl] 3-amino-4-ethoxybenzoate
CID 61320899
1-(3-amino-4-ethoxyphenyl)-2-(2-methoxyethylamino)ethanone
CID 82258583
2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)ethanone
CID 82102039
3-amino-N-(2,6-dimethylpiperidin-1-yl)-4-ethoxybenzamide
CID 83003513
(3-amino-4-ethoxyphenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 28689913
2-(cyclopropylmethylamino)-1-(3,4-diethoxyphenyl)ethanone
CID 116557746
2-(cyclopropylamino)-1-(2-ethoxyphenyl)ethanone
CID 82102218

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-ethoxyphenyl)-2-(cyclopropylamino)ethanone?
The IUPAC name of 1-(3-amino-4-ethoxyphenyl)-2-(cyclopropylamino)ethanone (CID 82258597) is 1-(3-amino-4-ethoxyphenyl)-2-(cyclopropylamino)ethanone.
What is the SMILES notation for 1-(3-amino-4-ethoxyphenyl)-2-(cyclopropylamino)ethanone?
The canonical SMILES for 1-(3-amino-4-ethoxyphenyl)-2-(cyclopropylamino)ethanone is CCOc1ccc(C(=O)CNC2CC2)cc1N.
What is the InChIKey of 1-(3-amino-4-ethoxyphenyl)-2-(cyclopropylamino)ethanone?
The InChIKey is ROBPBEHGMKTTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-17-13-6-3-9(7-11(13)14)12(16)8-15-10-4-5-10/h3,6-7,10,15H,2,4-5,8,14H2,1H3.
What are the key properties of 1-(3-amino-4-ethoxyphenyl)-2-(cyclopropylamino)ethanone?
1-(3-amino-4-ethoxyphenyl)-2-(cyclopropylamino)ethanone has a molecular weight of 234.30 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-ethoxyphenyl)-2-(cyclopropylamino)ethanone is sourced from PubChem (CID 82258597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).