2-[ethyl(propan-2-yl)amino]-1-(2-methylphenyl)ethanone

C14H21NO — CID 43795126

IUPAC2-[ethyl(propan-2-yl)amino]-1-(2-methylphenyl)ethanone
SMILESCCN(CC(=O)c1ccccc1C)C(C)C
InChIInChI=1S/C14H21NO/c1-5-15(11(2)3)10-14(16)13-9-7-6-8-12(13)4/h6-9,11H,5,10H2,1-4H3
InChIKeyFIYMJGSZTRIHGW-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.91
Rot. Bonds5

About 2-[ethyl(propan-2-yl)amino]-1-(2-methylphenyl)ethanone

2-[ethyl(propan-2-yl)amino]-1-(2-methylphenyl)ethanone (PubChem CID 43795126) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-[ethyl(propan-2-yl)amino]-1-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name2-[ethyl(propan-2-yl)amino]-1-(2-methylphenyl)ethanone
PubChem CID43795126
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-[ethyl(propan-2-yl)amino]-1-(2-methylphenyl)ethanone
SMILESCCN(CC(=O)c1ccccc1C)C(C)C
InChIInChI=1S/C14H21NO/c1-5-15(11(2)3)10-14(16)13-9-7-6-8-12(13)4/h6-9,11H,5,10H2,1-4H3
InChIKeyFIYMJGSZTRIHGW-UHFFFAOYSA-N
XLogP2.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(2-methylphenyl)ethanone
CID 103189902
1-(2-methylphenyl)-2-[methyl(propan-2-yl)amino]ethanone
CID 43794597
2-(dimethylamino)-1-(2-methylphenyl)ethanone;hydrochloride
CID 178200159
1-(1-benzofuran-3-yl)-2-[ethyl(propan-2-yl)amino]ethanone
CID 43795122
1-(3,4-dimethylphenyl)-2-[ethyl(propan-2-yl)amino]ethanone
CID 43795100
2-[butan-2-yl(ethyl)amino]-1-(2-chlorophenyl)ethanone
CID 43796012
N-[2-(diethylamino)propyl]-4-(2-methylphenyl)-4-oxobutanamide
CID 110620399
3-methyl-1-(2-methylphenyl)pentan-1-one
CID 62620781
2-[methyl-[2-(2-methylphenyl)-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 62035982
2-[cyclohexyl(ethyl)amino]-1-(2-methylphenyl)ethanone
CID 43794251
2-[[2-(2-methylphenyl)-2-oxoethyl]-(2-methylpropyl)amino]acetamide
CID 62035855
2-[ethyl(propan-2-yl)amino]-1-(4-propan-2-ylphenyl)ethanone
CID 43795097

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(propan-2-yl)amino]-1-(2-methylphenyl)ethanone?
The IUPAC name of 2-[ethyl(propan-2-yl)amino]-1-(2-methylphenyl)ethanone (CID 43795126) is 2-[ethyl(propan-2-yl)amino]-1-(2-methylphenyl)ethanone.
What is the SMILES notation for 2-[ethyl(propan-2-yl)amino]-1-(2-methylphenyl)ethanone?
The canonical SMILES for 2-[ethyl(propan-2-yl)amino]-1-(2-methylphenyl)ethanone is CCN(CC(=O)c1ccccc1C)C(C)C.
What is the InChIKey of 2-[ethyl(propan-2-yl)amino]-1-(2-methylphenyl)ethanone?
The InChIKey is FIYMJGSZTRIHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-5-15(11(2)3)10-14(16)13-9-7-6-8-12(13)4/h6-9,11H,5,10H2,1-4H3.
What are the key properties of 2-[ethyl(propan-2-yl)amino]-1-(2-methylphenyl)ethanone?
2-[ethyl(propan-2-yl)amino]-1-(2-methylphenyl)ethanone has a molecular weight of 219.33 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(propan-2-yl)amino]-1-(2-methylphenyl)ethanone is sourced from PubChem (CID 43795126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).