3-(ethylamino)-1-(3-ethylphenyl)-2-methylpropan-1-one

C14H21NO — CID 116565290

IUPAC3-(ethylamino)-1-(3-ethylphenyl)-2-methylpropan-1-one
SMILESCCNCC(C)C(=O)c1cccc(CC)c1
InChIInChI=1S/C14H21NO/c1-4-12-7-6-8-13(9-12)14(16)11(3)10-15-5-2/h6-9,11,15H,4-5,10H2,1-3H3
InChIKeyKRUWDGIFKKJZKS-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.68
Rot. Bonds6

About 3-(ethylamino)-1-(3-ethylphenyl)-2-methylpropan-1-one

3-(ethylamino)-1-(3-ethylphenyl)-2-methylpropan-1-one (PubChem CID 116565290) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-(ethylamino)-1-(3-ethylphenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name3-(ethylamino)-1-(3-ethylphenyl)-2-methylpropan-1-one
PubChem CID116565290
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-(ethylamino)-1-(3-ethylphenyl)-2-methylpropan-1-one
SMILESCCNCC(C)C(=O)c1cccc(CC)c1
InChIInChI=1S/C14H21NO/c1-4-12-7-6-8-13(9-12)14(16)11(3)10-15-5-2/h6-9,11,15H,4-5,10H2,1-3H3
InChIKeyKRUWDGIFKKJZKS-UHFFFAOYSA-N
XLogP2.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(3-ethylphenyl)propan-1-one
CID 57124216
3-amino-1-(3-ethylphenyl)-2-methylbutan-1-one
CID 116612270
2-bromo-1-(3-ethylphenyl)-2-hydroxyethanone
CID 21460946
3-[[3-(ethylamino)-2-methylpropanoyl]amino]benzoic acid
CID 62852213
3-ethyl-N-methylbenzamide
CID 59115297
3-(ethylamino)-2-methyl-1-pyrimidin-5-ylpropan-1-one
CID 116565208
2-amino-1-(3-ethylphenyl)-2-phenylethanone
CID 116551226
3-ethylbenzoic acid;propane
CID 177324794
3-(3-ethylphenyl)-3-oxopropanoic acid
CID 55267512
N-[(3-ethylphenyl)methyl]ethanamine
CID 79003665
1-(2-chlorophenyl)-3-(ethylamino)-2-methylpropan-1-one
CID 116565139
N-(3-ethylphenyl)-2-methyl-3-(methylamino)propanamide
CID 79196152

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-1-(3-ethylphenyl)-2-methylpropan-1-one?
The IUPAC name of 3-(ethylamino)-1-(3-ethylphenyl)-2-methylpropan-1-one (CID 116565290) is 3-(ethylamino)-1-(3-ethylphenyl)-2-methylpropan-1-one.
What is the SMILES notation for 3-(ethylamino)-1-(3-ethylphenyl)-2-methylpropan-1-one?
The canonical SMILES for 3-(ethylamino)-1-(3-ethylphenyl)-2-methylpropan-1-one is CCNCC(C)C(=O)c1cccc(CC)c1.
What is the InChIKey of 3-(ethylamino)-1-(3-ethylphenyl)-2-methylpropan-1-one?
The InChIKey is KRUWDGIFKKJZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-12-7-6-8-13(9-12)14(16)11(3)10-15-5-2/h6-9,11,15H,4-5,10H2,1-3H3.
What are the key properties of 3-(ethylamino)-1-(3-ethylphenyl)-2-methylpropan-1-one?
3-(ethylamino)-1-(3-ethylphenyl)-2-methylpropan-1-one has a molecular weight of 219.33 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-1-(3-ethylphenyl)-2-methylpropan-1-one is sourced from PubChem (CID 116565290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).