2-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-methylphenyl)propan-1-one

C14H21NO2 — CID 104552670

IUPAC2-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)C(C)N(C)C(C)CO)cc1
InChIInChI=1S/C14H21NO2/c1-10-5-7-13(8-6-10)14(17)12(3)15(4)11(2)9-16/h5-8,11-12,16H,9H2,1-4H3
InChIKeyKQCXIRLRLFUJOL-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.88
Rot. Bonds5

About 2-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-methylphenyl)propan-1-one

2-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-methylphenyl)propan-1-one (PubChem CID 104552670) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name2-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-methylphenyl)propan-1-one
PubChem CID104552670
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)C(C)N(C)C(C)CO)cc1
InChIInChI=1S/C14H21NO2/c1-10-5-7-13(8-6-10)14(17)12(3)15(4)11(2)9-16/h5-8,11-12,16H,9H2,1-4H3
InChIKeyKQCXIRLRLFUJOL-UHFFFAOYSA-N
XLogP1.88
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(pentan-3-yl)amino]-1-(4-methylphenyl)propan-1-one
CID 43796890
2-[methyl-[1-(4-methylphenyl)-1-oxopropan-2-yl]amino]acetic acid
CID 82476146
2-[methyl(pentan-3-yl)amino]-1-phenylpropan-1-one
CID 43796822
2-[2-methoxyethyl(methyl)amino]-1-(4-methylphenyl)propan-1-one
CID 61427109
(2S)-2-(dimethylamino)-1-(4-methylphenyl)butan-1-one
CID 124518637
1-(4-bromophenyl)-2-[1-methoxypropan-2-yl(methyl)amino]propan-1-one
CID 54946475
2-[ethyl(1-methoxypropan-2-yl)amino]-1-(4-methylphenyl)propan-1-one
CID 55010842
1-(4-methylphenyl)-2-[pentyl(propan-2-yl)amino]propan-1-one
CID 63567711
1-(3,4-dimethylphenyl)-2-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-1-one
CID 112662142
2-[cyclopropylmethyl(propan-2-yl)amino]-1-(4-methylphenyl)propan-1-one
CID 55000088
2-[cyclopentyl(ethyl)amino]-1-(4-methylphenyl)propan-1-one
CID 43796353
2-[(1-hydroxycyclopentyl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one
CID 114950447

Frequently Asked Questions

What is the IUPAC name of 2-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-methylphenyl)propan-1-one?
The IUPAC name of 2-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-methylphenyl)propan-1-one (CID 104552670) is 2-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 2-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-methylphenyl)propan-1-one?
The canonical SMILES for 2-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-methylphenyl)propan-1-one is Cc1ccc(C(=O)C(C)N(C)C(C)CO)cc1.
What is the InChIKey of 2-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-methylphenyl)propan-1-one?
The InChIKey is KQCXIRLRLFUJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-5-7-13(8-6-10)14(17)12(3)15(4)11(2)9-16/h5-8,11-12,16H,9H2,1-4H3.
What are the key properties of 2-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-methylphenyl)propan-1-one?
2-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-methylphenyl)propan-1-one has a molecular weight of 235.33 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 104552670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).