1-[4-(dimethylamino)phenyl]-3-methyl-2-(methylamino)butan-1-one

C14H22N2O — CID 143056091

IUPAC1-[4-(dimethylamino)phenyl]-3-methyl-2-(methylamino)butan-1-one
SMILESCNC(C(=O)c1ccc(N(C)C)cc1)C(C)C
InChIInChI=1S/C14H22N2O/c1-10(2)13(15-3)14(17)11-6-8-12(9-7-11)16(4)5/h6-10,13,15H,1-5H3
InChIKeyWHMQVLOKTMMMDO-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.18
Rot. Bonds5

About 1-[4-(dimethylamino)phenyl]-3-methyl-2-(methylamino)butan-1-one

1-[4-(dimethylamino)phenyl]-3-methyl-2-(methylamino)butan-1-one (PubChem CID 143056091) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-3-methyl-2-(methylamino)butan-1-one.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-3-methyl-2-(methylamino)butan-1-one
PubChem CID143056091
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-[4-(dimethylamino)phenyl]-3-methyl-2-(methylamino)butan-1-one
SMILESCNC(C(=O)c1ccc(N(C)C)cc1)C(C)C
InChIInChI=1S/C14H22N2O/c1-10(2)13(15-3)14(17)11-6-8-12(9-7-11)16(4)5/h6-10,13,15H,1-5H3
InChIKeyWHMQVLOKTMMMDO-UHFFFAOYSA-N
XLogP2.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(dimethylamino)phenyl]-2-(methylamino)propan-1-one
CID 83971810
4-(dimethylamino)-N-propan-2-ylbenzamide
CID 18712040
3-methyl-2-(methylamino)-1-(1H-pyrrol-3-yl)butan-1-one
CID 82280815
1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-2-methylpropan-1-one
CID 59751506
4-[4-(dimethylamino)phenyl]-3-(ethylamino)-4-oxobutanoic acid
CID 82322773
4-[4-(dimethylamino)phenyl]-N-methylbenzamide
CID 110487764
2-(benzylamino)-1-[4-(dimethylamino)phenyl]propan-1-one;hydrochloride
CID 172677364
CID 69397190
CID 69397190
4-(dimethylamino)benzoic acid;hydrochloride
CID 67236590
N-(1-chloro-3-methylbutan-2-yl)-4-(dimethylamino)benzamide
CID 114305447
2-[4-(dimethylamino)phenyl]-1-phenylpropan-1-one;hydrochloride
CID 172756921
4-(dimethylamino)-N'-(4-fluorobenzoyl)benzohydrazide
CID 3914670

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-3-methyl-2-(methylamino)butan-1-one?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-3-methyl-2-(methylamino)butan-1-one (CID 143056091) is 1-[4-(dimethylamino)phenyl]-3-methyl-2-(methylamino)butan-1-one.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-3-methyl-2-(methylamino)butan-1-one?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-3-methyl-2-(methylamino)butan-1-one is CNC(C(=O)c1ccc(N(C)C)cc1)C(C)C.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-3-methyl-2-(methylamino)butan-1-one?
The InChIKey is WHMQVLOKTMMMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10(2)13(15-3)14(17)11-6-8-12(9-7-11)16(4)5/h6-10,13,15H,1-5H3.
What are the key properties of 1-[4-(dimethylamino)phenyl]-3-methyl-2-(methylamino)butan-1-one?
1-[4-(dimethylamino)phenyl]-3-methyl-2-(methylamino)butan-1-one has a molecular weight of 234.34 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]-3-methyl-2-(methylamino)butan-1-one is sourced from PubChem (CID 143056091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).