4-methyl-2-(methylamino)-1-(4-methylphenyl)pentan-1-one;hydrochloride

C14H22ClNO — CID 171323405

IUPAC4-methyl-2-(methylamino)-1-(4-methylphenyl)pentan-1-one;hydrochloride
SMILESCNC(CC(C)C)C(=O)c1ccc(C)cc1.Cl
InChIInChI=1S/C14H21NO.ClH/c1-10(2)9-13(15-4)14(16)12-7-5-11(3)6-8-12;/h5-8,10,13,15H,9H2,1-4H3;1H
InChIKeyYBOMEUKEGHDOIR-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.23
Rot. Bonds5

About 4-methyl-2-(methylamino)-1-(4-methylphenyl)pentan-1-one;hydrochloride

4-methyl-2-(methylamino)-1-(4-methylphenyl)pentan-1-one;hydrochloride (PubChem CID 171323405) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 4-methyl-2-(methylamino)-1-(4-methylphenyl)pentan-1-one;hydrochloride.

Molecular Properties

Compound Name4-methyl-2-(methylamino)-1-(4-methylphenyl)pentan-1-one;hydrochloride
PubChem CID171323405
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name4-methyl-2-(methylamino)-1-(4-methylphenyl)pentan-1-one;hydrochloride
SMILESCNC(CC(C)C)C(=O)c1ccc(C)cc1.Cl
InChIInChI=1S/C14H21NO.ClH/c1-10(2)9-13(15-4)14(16)12-7-5-11(3)6-8-12;/h5-8,10,13,15H,9H2,1-4H3;1H
InChIKeyYBOMEUKEGHDOIR-UHFFFAOYSA-N
XLogP3.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-4-methyl-1-(4-methylphenyl)pentan-1-one
CID 10104411
1-(1,3-benzodioxol-5-yl)-4-methyl-2-(methylamino)pentan-1-one;hydrochloride
CID 165362300
1-(1,3-benzodioxol-5-yl)-4-methyl-2-(methylamino)pentan-1-one
CID 163192846
2,4-dimethyl-N-(4-methylphenyl)pentanamide
CID 170275837
4-methyl-N-[(2S)-4-methylpentan-2-yl]benzamide
CID 836976
N-[(2S)-1-(diethylamino)-4-methyl-1-oxopentan-2-yl]-4-methylbenzamide
CID 102306960
2-(ethylamino)-1-(4-methylphenyl)butan-1-one
CID 91698934
2-(methylamino)-1-[4-(2-methylpropyl)phenyl]butan-1-one
CID 112512195
4-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide
CID 110351340
(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 8897361
methyl (2S)-4-methyl-2-(methylamino)pentanoate;hydrochloride
CID 75487996
[2-(4-fluorophenyl)-2-oxoethyl] (2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate
CID 7878247

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(methylamino)-1-(4-methylphenyl)pentan-1-one;hydrochloride?
The IUPAC name of 4-methyl-2-(methylamino)-1-(4-methylphenyl)pentan-1-one;hydrochloride (CID 171323405) is 4-methyl-2-(methylamino)-1-(4-methylphenyl)pentan-1-one;hydrochloride.
What is the SMILES notation for 4-methyl-2-(methylamino)-1-(4-methylphenyl)pentan-1-one;hydrochloride?
The canonical SMILES for 4-methyl-2-(methylamino)-1-(4-methylphenyl)pentan-1-one;hydrochloride is CNC(CC(C)C)C(=O)c1ccc(C)cc1.Cl.
What is the InChIKey of 4-methyl-2-(methylamino)-1-(4-methylphenyl)pentan-1-one;hydrochloride?
The InChIKey is YBOMEUKEGHDOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO.ClH/c1-10(2)9-13(15-4)14(16)12-7-5-11(3)6-8-12;/h5-8,10,13,15H,9H2,1-4H3;1H.
What are the key properties of 4-methyl-2-(methylamino)-1-(4-methylphenyl)pentan-1-one;hydrochloride?
4-methyl-2-(methylamino)-1-(4-methylphenyl)pentan-1-one;hydrochloride has a molecular weight of 255.79 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(methylamino)-1-(4-methylphenyl)pentan-1-one;hydrochloride is sourced from PubChem (CID 171323405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).