2-methyl-2-[(2,4,5-trimethylphenyl)methylamino]butan-1-ol

C15H25NO — CID 64551186

IUPAC2-methyl-2-[(2,4,5-trimethylphenyl)methylamino]butan-1-ol
SMILESCCC(C)(CO)NCc1cc(C)c(C)cc1C
InChIInChI=1S/C15H25NO/c1-6-15(5,10-17)16-9-14-8-12(3)11(2)7-13(14)4/h7-8,16-17H,6,9-10H2,1-5H3
InChIKeyRTWAMYTURZAJAU-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.86
Rot. Bonds5

About 2-methyl-2-[(2,4,5-trimethylphenyl)methylamino]butan-1-ol

2-methyl-2-[(2,4,5-trimethylphenyl)methylamino]butan-1-ol (PubChem CID 64551186) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-methyl-2-[(2,4,5-trimethylphenyl)methylamino]butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[(2,4,5-trimethylphenyl)methylamino]butan-1-ol
PubChem CID64551186
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-methyl-2-[(2,4,5-trimethylphenyl)methylamino]butan-1-ol
SMILESCCC(C)(CO)NCc1cc(C)c(C)cc1C
InChIInChI=1S/C15H25NO/c1-6-15(5,10-17)16-9-14-8-12(3)11(2)7-13(14)4/h7-8,16-17H,6,9-10H2,1-5H3
InChIKeyRTWAMYTURZAJAU-UHFFFAOYSA-N
XLogP2.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]-4,5-dimethylphenol
CID 111466606
2-[(4,5-dimethoxy-2-methylphenyl)methylamino]-2-methylpentan-1-ol
CID 111916693
2-ethyl-2-[[(2,4,5-trimethylphenyl)methylamino]methyl]butan-1-ol
CID 103845601
2-[(2,5-dichlorophenyl)methylamino]-2-methylbutan-1-ol
CID 65317553
4-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]-5-methylthiophene-2-carboxylic acid
CID 103253110
2-methyl-2-[(2,4,5-trimethylphenyl)methylamino]propanoic acid
CID 115127969
2-methyl-2-[(2-methyl-3-pyridinyl)methylamino]butan-1-ol
CID 111440131
2-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]-5-methoxyphenol
CID 64549738
2-methyl-1-[(2,4,5-trimethylphenyl)methylamino]butan-2-ol
CID 63932252
2-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylamino]-2-methylbutan-1-ol
CID 64550358
2,6-difluoro-4-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]phenol
CID 79832225
2-[(3,5-dimethoxyphenyl)methylamino]-2-methylbutan-1-ol
CID 64549744

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2,4,5-trimethylphenyl)methylamino]butan-1-ol?
The IUPAC name of 2-methyl-2-[(2,4,5-trimethylphenyl)methylamino]butan-1-ol (CID 64551186) is 2-methyl-2-[(2,4,5-trimethylphenyl)methylamino]butan-1-ol.
What is the SMILES notation for 2-methyl-2-[(2,4,5-trimethylphenyl)methylamino]butan-1-ol?
The canonical SMILES for 2-methyl-2-[(2,4,5-trimethylphenyl)methylamino]butan-1-ol is CCC(C)(CO)NCc1cc(C)c(C)cc1C.
What is the InChIKey of 2-methyl-2-[(2,4,5-trimethylphenyl)methylamino]butan-1-ol?
The InChIKey is RTWAMYTURZAJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-6-15(5,10-17)16-9-14-8-12(3)11(2)7-13(14)4/h7-8,16-17H,6,9-10H2,1-5H3.
What are the key properties of 2-methyl-2-[(2,4,5-trimethylphenyl)methylamino]butan-1-ol?
2-methyl-2-[(2,4,5-trimethylphenyl)methylamino]butan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2,4,5-trimethylphenyl)methylamino]butan-1-ol is sourced from PubChem (CID 64551186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).