1-(3,4-dimethylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propan-1-one

C16H25NO2 — CID 79390731

IUPAC1-(3,4-dimethylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propan-1-one
SMILESCc1ccc(C(=O)C(C)N(C)CC(C)(C)O)cc1C
InChIInChI=1S/C16H25NO2/c1-11-7-8-14(9-12(11)2)15(18)13(3)17(6)10-16(4,5)19/h7-9,13,19H,10H2,1-6H3
InChIKeyHNVMNPWRJABBGS-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.58
Rot. Bonds5

About 1-(3,4-dimethylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propan-1-one

1-(3,4-dimethylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propan-1-one (PubChem CID 79390731) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propan-1-one.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propan-1-one
PubChem CID79390731
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(3,4-dimethylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propan-1-one
SMILESCc1ccc(C(=O)C(C)N(C)CC(C)(C)O)cc1C
InChIInChI=1S/C16H25NO2/c1-11-7-8-14(9-12(11)2)15(18)13(3)17(6)10-16(4,5)19/h7-9,13,19H,10H2,1-6H3
InChIKeyHNVMNPWRJABBGS-UHFFFAOYSA-N
XLogP2.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylphenyl)-2-[ethyl(methyl)amino]propan-1-one
CID 43794892
1-(3,4-dimethylphenyl)-2-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-1-one
CID 112662142
1-(3,4-dimethylphenyl)-2-[furan-2-ylmethyl(methyl)amino]propan-1-one
CID 62052574
2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(3,4-dimethylphenyl)propan-1-one
CID 63566664
N-(2,5-dimethylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide
CID 111750380
ethyl 2-[(2-hydroxy-2-methylpropyl)-methylamino]propanoate
CID 79386594
N-(5-chloro-2-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide
CID 111750320
4-[(2-hydroxy-2-methylpropyl)-methylamino]-3-methylbenzoic acid
CID 79379105
2-[[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-(2-methylpropyl)amino]acetamide
CID 62035856
2-(3,4-dimethylphenoxy)-1-(3,4-dimethylphenyl)propan-1-one
CID 43412320
[(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 4-tert-butylbenzoate
CID 7891842
2-[cyclopropyl(3-methylbutyl)amino]-1-(3,4-dimethylphenyl)propan-1-one
CID 78944907

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propan-1-one?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propan-1-one (CID 79390731) is 1-(3,4-dimethylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propan-1-one.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propan-1-one?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propan-1-one is Cc1ccc(C(=O)C(C)N(C)CC(C)(C)O)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propan-1-one?
The InChIKey is HNVMNPWRJABBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11-7-8-14(9-12(11)2)15(18)13(3)17(6)10-16(4,5)19/h7-9,13,19H,10H2,1-6H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propan-1-one?
1-(3,4-dimethylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propan-1-one has a molecular weight of 263.38 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propan-1-one is sourced from PubChem (CID 79390731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).