2-[cyclopropyl(propyl)amino]-1-(2,5-dimethylphenyl)ethanone

C16H23NO — CID 43795464

IUPAC2-[cyclopropyl(propyl)amino]-1-(2,5-dimethylphenyl)ethanone
SMILESCCCN(CC(=O)c1cc(C)ccc1C)C1CC1
InChIInChI=1S/C16H23NO/c1-4-9-17(14-7-8-14)11-16(18)15-10-12(2)5-6-13(15)3/h5-6,10,14H,4,7-9,11H2,1-3H3
InChIKeyYGTYFRQKHMQXOF-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.36
Rot. Bonds6

About 2-[cyclopropyl(propyl)amino]-1-(2,5-dimethylphenyl)ethanone

2-[cyclopropyl(propyl)amino]-1-(2,5-dimethylphenyl)ethanone (PubChem CID 43795464) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-[cyclopropyl(propyl)amino]-1-(2,5-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-[cyclopropyl(propyl)amino]-1-(2,5-dimethylphenyl)ethanone
PubChem CID43795464
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-[cyclopropyl(propyl)amino]-1-(2,5-dimethylphenyl)ethanone
SMILESCCCN(CC(=O)c1cc(C)ccc1C)C1CC1
InChIInChI=1S/C16H23NO/c1-4-9-17(14-7-8-14)11-16(18)15-10-12(2)5-6-13(15)3/h5-6,10,14H,4,7-9,11H2,1-3H3
InChIKeyYGTYFRQKHMQXOF-UHFFFAOYSA-N
XLogP3.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropyl(propyl)amino]-1-(2,4,5-trimethylphenyl)ethanone
CID 43795545
3-[cyclopropyl-[2-(2,4-dimethylphenyl)-2-oxoethyl]amino]propanenitrile
CID 62037407
2-[cyclopropyl(2-hydroxyethyl)amino]-1-(2,4,5-trimethylphenyl)ethanone
CID 62029955
2-[cyclopropyl(propyl)amino]-1-(4-ethylphenyl)ethanone
CID 43795468
2-chloro-1-(2,5-dimethylphenyl)ethanone
CID 2363693
2-[cyclopropyl(propyl)amino]-1-(2,6-difluorophenyl)ethanone
CID 43795478
1-(2,5-dimethylphenyl)-2-[methyl(pentan-2-yl)amino]ethanone
CID 43796904
1-(3-chlorophenyl)-2-[cyclopropyl(propyl)amino]ethanone
CID 43795533
2-[butyl(2-hydroxyethyl)amino]-1-(2,5-dimethylphenyl)ethanone
CID 62051512
2-bromo-N-cyclopropyl-5-methyl-N-propylbenzamide
CID 81005817
2-[[2-(2,5-dimethylphenyl)-2-oxoethyl]-methylamino]acetic acid
CID 82476152
1-(2,5-dimethylphenyl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone
CID 63964640

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(propyl)amino]-1-(2,5-dimethylphenyl)ethanone?
The IUPAC name of 2-[cyclopropyl(propyl)amino]-1-(2,5-dimethylphenyl)ethanone (CID 43795464) is 2-[cyclopropyl(propyl)amino]-1-(2,5-dimethylphenyl)ethanone.
What is the SMILES notation for 2-[cyclopropyl(propyl)amino]-1-(2,5-dimethylphenyl)ethanone?
The canonical SMILES for 2-[cyclopropyl(propyl)amino]-1-(2,5-dimethylphenyl)ethanone is CCCN(CC(=O)c1cc(C)ccc1C)C1CC1.
What is the InChIKey of 2-[cyclopropyl(propyl)amino]-1-(2,5-dimethylphenyl)ethanone?
The InChIKey is YGTYFRQKHMQXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-4-9-17(14-7-8-14)11-16(18)15-10-12(2)5-6-13(15)3/h5-6,10,14H,4,7-9,11H2,1-3H3.
What are the key properties of 2-[cyclopropyl(propyl)amino]-1-(2,5-dimethylphenyl)ethanone?
2-[cyclopropyl(propyl)amino]-1-(2,5-dimethylphenyl)ethanone has a molecular weight of 245.37 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(propyl)amino]-1-(2,5-dimethylphenyl)ethanone is sourced from PubChem (CID 43795464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).