2-(diethylamino)-1-(2,5-dimethoxyphenyl)-2-methylpropan-1-one

C16H25NO3 — CID 79053848

IUPAC2-(diethylamino)-1-(2,5-dimethoxyphenyl)-2-methylpropan-1-one
SMILESCCN(CC)C(C)(C)C(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C16H25NO3/c1-7-17(8-2)16(3,4)15(18)13-11-12(19-5)9-10-14(13)20-6/h9-11H,7-8H2,1-6H3
InChIKeyYEMUTXVOSMMDMD-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.01
Rot. Bonds7

About 2-(diethylamino)-1-(2,5-dimethoxyphenyl)-2-methylpropan-1-one

2-(diethylamino)-1-(2,5-dimethoxyphenyl)-2-methylpropan-1-one (PubChem CID 79053848) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-(diethylamino)-1-(2,5-dimethoxyphenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name2-(diethylamino)-1-(2,5-dimethoxyphenyl)-2-methylpropan-1-one
PubChem CID79053848
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-(diethylamino)-1-(2,5-dimethoxyphenyl)-2-methylpropan-1-one
SMILESCCN(CC)C(C)(C)C(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C16H25NO3/c1-7-17(8-2)16(3,4)15(18)13-11-12(19-5)9-10-14(13)20-6/h9-11H,7-8H2,1-6H3
InChIKeyYEMUTXVOSMMDMD-UHFFFAOYSA-N
XLogP3.01
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(diethylamino)-1-(4-methoxy-2-methylphenyl)-2-methylpropan-1-one
CID 79053325
2-amino-1-(2,5-dimethoxyphenyl)-2-methylbutan-1-one
CID 116590395
2-bromo-1-(2,5-dimethoxyphenyl)-2,2-difluoroethanone
CID 146006289
2-(diethylamino)-2-(2,5-dimethoxyphenyl)propanoic acid
CID 43803580
(2,5-dimethoxybenzoyl) 2,5-dimethoxybenzoate
CID 122207257
1-(2,5-dimethoxyphenyl)-2-(dimethylamino)ethanone
CID 13302045
3-[(2,5-dimethoxybenzoyl)amino]-2,2-dimethylpropanoic acid
CID 81368930
3-[(2,5-dimethoxybenzoyl)amino]-3-methylbutanoic acid
CID 64672701
N-(1-hydroxypropan-2-yl)-2,5-dimethoxy-N-methylbenzamide
CID 112704642
N-[1-chloro-2-(chloromethyl)butan-2-yl]-2,5-dimethoxybenzamide
CID 107867479
3-amino-1-(2,5-dimethoxyphenyl)propan-1-one
CID 10149089
2-chloro-1-(2,5-dimethoxyphenyl)butan-1-one
CID 82254816

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-1-(2,5-dimethoxyphenyl)-2-methylpropan-1-one?
The IUPAC name of 2-(diethylamino)-1-(2,5-dimethoxyphenyl)-2-methylpropan-1-one (CID 79053848) is 2-(diethylamino)-1-(2,5-dimethoxyphenyl)-2-methylpropan-1-one.
What is the SMILES notation for 2-(diethylamino)-1-(2,5-dimethoxyphenyl)-2-methylpropan-1-one?
The canonical SMILES for 2-(diethylamino)-1-(2,5-dimethoxyphenyl)-2-methylpropan-1-one is CCN(CC)C(C)(C)C(=O)c1cc(OC)ccc1OC.
What is the InChIKey of 2-(diethylamino)-1-(2,5-dimethoxyphenyl)-2-methylpropan-1-one?
The InChIKey is YEMUTXVOSMMDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-7-17(8-2)16(3,4)15(18)13-11-12(19-5)9-10-14(13)20-6/h9-11H,7-8H2,1-6H3.
What are the key properties of 2-(diethylamino)-1-(2,5-dimethoxyphenyl)-2-methylpropan-1-one?
2-(diethylamino)-1-(2,5-dimethoxyphenyl)-2-methylpropan-1-one has a molecular weight of 279.38 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-1-(2,5-dimethoxyphenyl)-2-methylpropan-1-one is sourced from PubChem (CID 79053848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).