2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(2-methylphenyl)ethanone

C16H26N2O — CID 103189902

IUPAC2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(2-methylphenyl)ethanone
SMILESCCN(CC(=O)c1ccccc1C)C(C)CN(C)C
InChIInChI=1S/C16H26N2O/c1-6-18(14(3)11-17(4)5)12-16(19)15-10-8-7-9-13(15)2/h7-10,14H,6,11-12H2,1-5H3
InChIKeyRGYQGWHZABHDDC-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.45
Rot. Bonds7

About 2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(2-methylphenyl)ethanone

2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(2-methylphenyl)ethanone (PubChem CID 103189902) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(2-methylphenyl)ethanone
PubChem CID103189902
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(2-methylphenyl)ethanone
SMILESCCN(CC(=O)c1ccccc1C)C(C)CN(C)C
InChIInChI=1S/C16H26N2O/c1-6-18(14(3)11-17(4)5)12-16(19)15-10-8-7-9-13(15)2/h7-10,14H,6,11-12H2,1-5H3
InChIKeyRGYQGWHZABHDDC-UHFFFAOYSA-N
XLogP2.45
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl(propan-2-yl)amino]-1-(2-methylphenyl)ethanone
CID 43795126
2-(dimethylamino)-1-(2-methylphenyl)ethanone;hydrochloride
CID 178200159
1-(2-methylphenyl)-2-[methyl(propan-2-yl)amino]ethanone
CID 43794597
2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(furan-2-yl)ethanone
CID 103189899
2-[butan-2-yl(ethyl)amino]-1-(2-chlorophenyl)ethanone
CID 43796012
2-[methyl-[2-(2-methylphenyl)-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 62035982
2-[[2-(2-methylphenyl)-2-oxoethyl]-(2-methylpropyl)amino]acetamide
CID 62035855
N-[2-(diethylamino)propyl]-4-(2-methylphenyl)-4-oxobutanamide
CID 110620399
1-(1,3-benzodioxol-5-yl)-2-[1-(dimethylamino)propan-2-yl-ethylamino]ethanone
CID 103189935
2-[1-(2-chlorophenyl)ethyl-methylamino]-1-(2-methylphenyl)ethanone
CID 62980408
3-[ethyl(2-methylbutyl)amino]-1-(2-methylphenyl)propan-1-one
CID 79481123
3-methyl-1-(2-methylphenyl)pentan-1-one
CID 62620781

Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(2-methylphenyl)ethanone?
The IUPAC name of 2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(2-methylphenyl)ethanone (CID 103189902) is 2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(2-methylphenyl)ethanone.
What is the SMILES notation for 2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(2-methylphenyl)ethanone?
The canonical SMILES for 2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(2-methylphenyl)ethanone is CCN(CC(=O)c1ccccc1C)C(C)CN(C)C.
What is the InChIKey of 2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(2-methylphenyl)ethanone?
The InChIKey is RGYQGWHZABHDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-6-18(14(3)11-17(4)5)12-16(19)15-10-8-7-9-13(15)2/h7-10,14H,6,11-12H2,1-5H3.
What are the key properties of 2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(2-methylphenyl)ethanone?
2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(2-methylphenyl)ethanone has a molecular weight of 262.40 g/mol, XLogP of 2.45, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(2-methylphenyl)ethanone is sourced from PubChem (CID 103189902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).