3-(4-chlorophenyl)-4-(2-methoxyethylamino)butan-2-one;ethane

C15H24ClNO2 — CID 143607230

IUPAC3-(4-chlorophenyl)-4-(2-methoxyethylamino)butan-2-one;ethane
SMILESCC.COCCNCC(C(C)=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO2.C2H6/c1-10(16)13(9-15-7-8-17-2)11-3-5-12(14)6-4-11;1-2/h3-6,13,15H,7-9H2,1-2H3;1-2H3
InChIKeyNVTDOBVRAKOOBW-UHFFFAOYSA-N
MW285.81 g/mol
LogP3.27
Rot. Bonds7

About 3-(4-chlorophenyl)-4-(2-methoxyethylamino)butan-2-one;ethane

3-(4-chlorophenyl)-4-(2-methoxyethylamino)butan-2-one;ethane (PubChem CID 143607230) has the molecular formula C15H24ClNO2 and a molecular weight of 285.81 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-(2-methoxyethylamino)butan-2-one;ethane.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-(2-methoxyethylamino)butan-2-one;ethane
PubChem CID143607230
Molecular FormulaC15H24ClNO2
Molecular Weight285.81 g/mol
Exact Mass285.15
IUPAC Name3-(4-chlorophenyl)-4-(2-methoxyethylamino)butan-2-one;ethane
SMILESCC.COCCNCC(C(C)=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO2.C2H6/c1-10(16)13(9-15-7-8-17-2)11-3-5-12(14)6-4-11;1-2/h3-6,13,15H,7-9H2,1-2H3;1-2H3
InChIKeyNVTDOBVRAKOOBW-UHFFFAOYSA-N
XLogP3.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.81
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chlorophenyl)-4-(2-fluoroethylamino)butan-2-one;ethane
CID 143607405
2-(4-chlorophenyl)-N-(2-methoxyethyl)-6-methylheptan-1-amine
CID 83169176
2-(4-chlorophenyl)-N-(2-methoxyethyl)-4-methylsulfanylbutan-1-amine
CID 113474262
N-[1-(4-chlorophenyl)-4-methylpentyl]-2-(2-methoxyethylamino)acetamide
CID 119730916
1-(4-chlorophenyl)sulfinyl-3-(2-methoxyethylamino)propan-2-ol
CID 113318003
1-(4-chlorophenyl)sulfonyl-3-(2-methoxyethylamino)propan-2-ol
CID 115476465
(2S)-2-(4-chlorophenyl)-3-(2-fluoroethylamino)propanamide
CID 87430250
2-[(4-chlorophenyl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 103984648
methyl 2-(4-chlorophenyl)-3-(2,2,2-trifluoroethylamino)propanoate
CID 66617993
4-chloro-N-(2-methoxyethyl)benzamide
CID 3457742
2-(4-chlorophenyl)-6-methoxy-N-propylhexan-1-amine
CID 104649470
2-[[(3R)-3-(4-chlorophenyl)-4-oxopentyl]amino]-N,N-dimethylacetamide
CID 71126533

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-(2-methoxyethylamino)butan-2-one;ethane?
The IUPAC name of 3-(4-chlorophenyl)-4-(2-methoxyethylamino)butan-2-one;ethane (CID 143607230) is 3-(4-chlorophenyl)-4-(2-methoxyethylamino)butan-2-one;ethane.
What is the SMILES notation for 3-(4-chlorophenyl)-4-(2-methoxyethylamino)butan-2-one;ethane?
The canonical SMILES for 3-(4-chlorophenyl)-4-(2-methoxyethylamino)butan-2-one;ethane is CC.COCCNCC(C(C)=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-4-(2-methoxyethylamino)butan-2-one;ethane?
The InChIKey is NVTDOBVRAKOOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2.C2H6/c1-10(16)13(9-15-7-8-17-2)11-3-5-12(14)6-4-11;1-2/h3-6,13,15H,7-9H2,1-2H3;1-2H3.
What are the key properties of 3-(4-chlorophenyl)-4-(2-methoxyethylamino)butan-2-one;ethane?
3-(4-chlorophenyl)-4-(2-methoxyethylamino)butan-2-one;ethane has a molecular weight of 285.81 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-(2-methoxyethylamino)butan-2-one;ethane is sourced from PubChem (CID 143607230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).