1-[4-(dimethylamino)phenyl]-2-(methylamino)propan-1-one

C12H18N2O — CID 83971810

IUPAC1-[4-(dimethylamino)phenyl]-2-(methylamino)propan-1-one
SMILESCNC(C)C(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C12H18N2O/c1-9(13-2)12(15)10-5-7-11(8-6-10)14(3)4/h5-9,13H,1-4H3
InChIKeyDUIUHBCZTZHQNJ-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.54
Rot. Bonds4

About 1-[4-(dimethylamino)phenyl]-2-(methylamino)propan-1-one

1-[4-(dimethylamino)phenyl]-2-(methylamino)propan-1-one (PubChem CID 83971810) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-2-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-2-(methylamino)propan-1-one
PubChem CID83971810
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-[4-(dimethylamino)phenyl]-2-(methylamino)propan-1-one
SMILESCNC(C)C(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C12H18N2O/c1-9(13-2)12(15)10-5-7-11(8-6-10)14(3)4/h5-9,13H,1-4H3
InChIKeyDUIUHBCZTZHQNJ-UHFFFAOYSA-N
XLogP1.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(dimethylamino)phenyl]-3-methyl-2-(methylamino)butan-1-one
CID 143056091
1-(4-tert-butylphenyl)-2-(methylamino)propan-1-one
CID 82100647
4-(dimethylamino)-N-propan-2-ylbenzamide
CID 18712040
2-(benzylamino)-1-[4-(dimethylamino)phenyl]propan-1-one;hydrochloride
CID 172677364
ethyl 3-[N-methyl-4-[2-(methylamino)propanoyl]anilino]propanoate
CID 83971821
1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-2-methylpropan-1-one
CID 59751506
(2E,4E,6R)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxohepta-2,4-dienehydrazide
CID 118399980
4-[4-(dimethylamino)phenyl]-N-methylbenzamide
CID 110487764
N-(4-fluorophenyl)-N-methyl-2-(methylamino)propanamide
CID 62639733
4-(dimethylamino)benzoic acid;hydrochloride
CID 67236590
CID 69397190
CID 69397190
4-[4-(dimethylamino)phenyl]-3-(ethylamino)-4-oxobutanoic acid
CID 82322773

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-2-(methylamino)propan-1-one?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-2-(methylamino)propan-1-one (CID 83971810) is 1-[4-(dimethylamino)phenyl]-2-(methylamino)propan-1-one.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-2-(methylamino)propan-1-one?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-2-(methylamino)propan-1-one is CNC(C)C(=O)c1ccc(N(C)C)cc1.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-2-(methylamino)propan-1-one?
The InChIKey is DUIUHBCZTZHQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9(13-2)12(15)10-5-7-11(8-6-10)14(3)4/h5-9,13H,1-4H3.
What are the key properties of 1-[4-(dimethylamino)phenyl]-2-(methylamino)propan-1-one?
1-[4-(dimethylamino)phenyl]-2-(methylamino)propan-1-one has a molecular weight of 206.29 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]-2-(methylamino)propan-1-one is sourced from PubChem (CID 83971810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).