2-[1-(3-chlorophenyl)ethyl-methylamino]-1-(oxolan-3-yl)ethanone

C15H20ClNO2 — CID 104750700

IUPAC2-[1-(3-chlorophenyl)ethyl-methylamino]-1-(oxolan-3-yl)ethanone
SMILESCC(c1cccc(Cl)c1)N(C)CC(=O)C1CCOC1
InChIInChI=1S/C15H20ClNO2/c1-11(12-4-3-5-14(16)8-12)17(2)9-15(18)13-6-7-19-10-13/h3-5,8,11,13H,6-7,9-10H2,1-2H3
InChIKeyWQPKNLCFPVWJMU-UHFFFAOYSA-N
MW281.78 g/mol
LogP2.94
Rot. Bonds5

About 2-[1-(3-chlorophenyl)ethyl-methylamino]-1-(oxolan-3-yl)ethanone

2-[1-(3-chlorophenyl)ethyl-methylamino]-1-(oxolan-3-yl)ethanone (PubChem CID 104750700) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)ethyl-methylamino]-1-(oxolan-3-yl)ethanone.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)ethyl-methylamino]-1-(oxolan-3-yl)ethanone
PubChem CID104750700
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name2-[1-(3-chlorophenyl)ethyl-methylamino]-1-(oxolan-3-yl)ethanone
SMILESCC(c1cccc(Cl)c1)N(C)CC(=O)C1CCOC1
InChIInChI=1S/C15H20ClNO2/c1-11(12-4-3-5-14(16)8-12)17(2)9-15(18)13-6-7-19-10-13/h3-5,8,11,13H,6-7,9-10H2,1-2H3
InChIKeyWQPKNLCFPVWJMU-UHFFFAOYSA-N
XLogP2.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3-chlorophenyl)ethyl]-1-methyl-3-(oxolan-3-yl)urea
CID 115759275
2-[1-(3-chlorophenyl)ethyl-methylamino]acetohydrazide
CID 63583159
4-[[1-(3-chlorophenyl)ethyl-methylamino]methyl]oxane-4-carboxylic acid
CID 62984013
N-[1-(3-chlorophenyl)ethyl]oxane-4-carboxamide
CID 51073080
1-(3-chlorophenyl)-N-[2-(1,3-dioxan-2-yl)ethyl]-N-methylethanamine
CID 66472315
N'-[1-(3-chlorophenyl)ethyl]-N'-methyl-2-methylidenepropane-1,3-diamine
CID 103070459
N-[1-(3-chlorophenyl)ethyl]-N-methylmorpholine-4-carboxamide
CID 115589168
[3-[[1-(3-chlorophenyl)ethyl-methylamino]methyl]oxetan-3-yl]methanol
CID 111976655
2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-N-cyclopropylacetamide
CID 96555027
2-amino-6-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methylbenzamide
CID 63659864
2-(2,5-dichlorophenyl)sulfanyl-1-(oxolan-3-yl)ethanone
CID 104693468
5-[1-(3-chlorophenyl)ethyl-methylamino]pentan-2-one
CID 62980413

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)ethyl-methylamino]-1-(oxolan-3-yl)ethanone?
The IUPAC name of 2-[1-(3-chlorophenyl)ethyl-methylamino]-1-(oxolan-3-yl)ethanone (CID 104750700) is 2-[1-(3-chlorophenyl)ethyl-methylamino]-1-(oxolan-3-yl)ethanone.
What is the SMILES notation for 2-[1-(3-chlorophenyl)ethyl-methylamino]-1-(oxolan-3-yl)ethanone?
The canonical SMILES for 2-[1-(3-chlorophenyl)ethyl-methylamino]-1-(oxolan-3-yl)ethanone is CC(c1cccc(Cl)c1)N(C)CC(=O)C1CCOC1.
What is the InChIKey of 2-[1-(3-chlorophenyl)ethyl-methylamino]-1-(oxolan-3-yl)ethanone?
The InChIKey is WQPKNLCFPVWJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-11(12-4-3-5-14(16)8-12)17(2)9-15(18)13-6-7-19-10-13/h3-5,8,11,13H,6-7,9-10H2,1-2H3.
What are the key properties of 2-[1-(3-chlorophenyl)ethyl-methylamino]-1-(oxolan-3-yl)ethanone?
2-[1-(3-chlorophenyl)ethyl-methylamino]-1-(oxolan-3-yl)ethanone has a molecular weight of 281.78 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenyl)ethyl-methylamino]-1-(oxolan-3-yl)ethanone is sourced from PubChem (CID 104750700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).