1-(2-chlorophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone

C14H18ClNO2 — CID 82742948

IUPAC1-(2-chlorophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone
SMILESCC1OCCC1N(C)CC(=O)c1ccccc1Cl
InChIInChI=1S/C14H18ClNO2/c1-10-13(7-8-18-10)16(2)9-14(17)11-5-3-4-6-12(11)15/h3-6,10,13H,7-9H2,1-2H3
InChIKeyQUXVHGXMJZHXHV-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.63
Rot. Bonds4

About 1-(2-chlorophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone

1-(2-chlorophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone (PubChem CID 82742948) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone
PubChem CID82742948
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name1-(2-chlorophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone
SMILESCC1OCCC1N(C)CC(=O)c1ccccc1Cl
InChIInChI=1S/C14H18ClNO2/c1-10-13(7-8-18-10)16(2)9-14(17)11-5-3-4-6-12(11)15/h3-6,10,13H,7-9H2,1-2H3
InChIKeyQUXVHGXMJZHXHV-UHFFFAOYSA-N
XLogP2.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylthiophen-3-yl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone
CID 82743027
1-(4-ethylphenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone
CID 82742550
1-(5-ethylthiophen-2-yl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone
CID 82742156
methyl 2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]benzoate
CID 82968974
3-methyl-1-[methyl-(2-methyloxolan-3-yl)amino]butan-2-one
CID 82742069
2-amino-6-chloro-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82741144
1-(2-chlorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanone
CID 55170858
4-chloro-N-methyl-N-(2-methyloxolan-3-yl)quinoline-2-carboxamide
CID 82736181
3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid
CID 82719112
2-[butyl(ethyl)amino]-1-(2-chlorophenyl)ethanone
CID 43219892
potassium trifluoro-[3-[methyl-(2-methyloxolan-3-yl)amino]prop-1-en-2-yl]boranuide
CID 106746211
2-[2-(aminomethyl)phenyl]-N-methyl-N-(2-methyloxolan-3-yl)acetamide
CID 82737840

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone?
The IUPAC name of 1-(2-chlorophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone (CID 82742948) is 1-(2-chlorophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone.
What is the SMILES notation for 1-(2-chlorophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone?
The canonical SMILES for 1-(2-chlorophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone is CC1OCCC1N(C)CC(=O)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone?
The InChIKey is QUXVHGXMJZHXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-10-13(7-8-18-10)16(2)9-14(17)11-5-3-4-6-12(11)15/h3-6,10,13H,7-9H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone?
1-(2-chlorophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone has a molecular weight of 267.76 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone is sourced from PubChem (CID 82742948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).