2-[2-(dimethylamino)ethyl-methylamino]-1-(2-methoxy-4-methylphenyl)ethanone

C15H24N2O2 — CID 63700393

IUPAC2-[2-(dimethylamino)ethyl-methylamino]-1-(2-methoxy-4-methylphenyl)ethanone
SMILESCOc1cc(C)ccc1C(=O)CN(C)CCN(C)C
InChIInChI=1S/C15H24N2O2/c1-12-6-7-13(15(10-12)19-5)14(18)11-17(4)9-8-16(2)3/h6-7,10H,8-9,11H2,1-5H3
InChIKeyCKTOUXPZTOTTGO-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.68
Rot. Bonds7

About 2-[2-(dimethylamino)ethyl-methylamino]-1-(2-methoxy-4-methylphenyl)ethanone

2-[2-(dimethylamino)ethyl-methylamino]-1-(2-methoxy-4-methylphenyl)ethanone (PubChem CID 63700393) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-methylamino]-1-(2-methoxy-4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-methylamino]-1-(2-methoxy-4-methylphenyl)ethanone
PubChem CID63700393
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-[2-(dimethylamino)ethyl-methylamino]-1-(2-methoxy-4-methylphenyl)ethanone
SMILESCOc1cc(C)ccc1C(=O)CN(C)CCN(C)C
InChIInChI=1S/C15H24N2O2/c1-12-6-7-13(15(10-12)19-5)14(18)11-17(4)9-8-16(2)3/h6-7,10H,8-9,11H2,1-5H3
InChIKeyCKTOUXPZTOTTGO-UHFFFAOYSA-N
XLogP1.68
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(dimethylamino)ethyl-methylamino]-1-(2,4-dimethylphenyl)ethanone
CID 63701271
N-[2-(dimethylamino)ethyl]-2-methoxy-N,4-dimethylbenzamide
CID 58484242
2-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(2-methoxy-4-methylphenyl)ethanone
CID 62053047
1-(2-methoxy-4-methylphenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone
CID 79310457
2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(2-methoxy-4-methylphenyl)ethanone
CID 107481289
2-(dimethylamino)-1-(4-hydroxy-2-methoxyphenyl)ethanone
CID 170896098
1-(2-methoxy-4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 43794429
2-[2-(2-methoxy-4-methylphenyl)-2-oxoethyl]sulfanyl-N,N-dimethylacetamide
CID 114234153
2-(3,5-dimethylphenyl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 106790381
1-(2-methoxy-4-methylphenyl)-5,5-dimethylhexan-1-one
CID 114209847
2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-(2-methoxy-4-methylphenyl)ethanone
CID 43797743
2-[3-(dimethylamino)propyl-methylamino]-1-(2,4,5-trimethylphenyl)ethanone
CID 63699719

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-methylamino]-1-(2-methoxy-4-methylphenyl)ethanone?
The IUPAC name of 2-[2-(dimethylamino)ethyl-methylamino]-1-(2-methoxy-4-methylphenyl)ethanone (CID 63700393) is 2-[2-(dimethylamino)ethyl-methylamino]-1-(2-methoxy-4-methylphenyl)ethanone.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-methylamino]-1-(2-methoxy-4-methylphenyl)ethanone?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-methylamino]-1-(2-methoxy-4-methylphenyl)ethanone is COc1cc(C)ccc1C(=O)CN(C)CCN(C)C.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-methylamino]-1-(2-methoxy-4-methylphenyl)ethanone?
The InChIKey is CKTOUXPZTOTTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-12-6-7-13(15(10-12)19-5)14(18)11-17(4)9-8-16(2)3/h6-7,10H,8-9,11H2,1-5H3.
What are the key properties of 2-[2-(dimethylamino)ethyl-methylamino]-1-(2-methoxy-4-methylphenyl)ethanone?
2-[2-(dimethylamino)ethyl-methylamino]-1-(2-methoxy-4-methylphenyl)ethanone has a molecular weight of 264.37 g/mol, XLogP of 1.68, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-methylamino]-1-(2-methoxy-4-methylphenyl)ethanone is sourced from PubChem (CID 63700393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).