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

C17H29NO — CID 103845601

IUPAC2-ethyl-2-[[(2,4,5-trimethylphenyl)methylamino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNCc1cc(C)c(C)cc1C
InChIInChI=1S/C17H29NO/c1-6-17(7-2,12-19)11-18-10-16-9-14(4)13(3)8-15(16)5/h8-9,18-19H,6-7,10-12H2,1-5H3
InChIKeyYSIXSOVOFIKKFK-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.50
Rot. Bonds7

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

2-ethyl-2-[[(2,4,5-trimethylphenyl)methylamino]methyl]butan-1-ol (PubChem CID 103845601) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 2-ethyl-2-[[(2,4,5-trimethylphenyl)methylamino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[(2,4,5-trimethylphenyl)methylamino]methyl]butan-1-ol
PubChem CID103845601
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name2-ethyl-2-[[(2,4,5-trimethylphenyl)methylamino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNCc1cc(C)c(C)cc1C
InChIInChI=1S/C17H29NO/c1-6-17(7-2,12-19)11-18-10-16-9-14(4)13(3)8-15(16)5/h8-9,18-19H,6-7,10-12H2,1-5H3
InChIKeyYSIXSOVOFIKKFK-UHFFFAOYSA-N
XLogP3.50
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-2-[[(2,4,5-trimethylphenyl)methylamino]methyl]butan-1-ol with MolForge

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Related Compounds

2-methyl-1-[(2,4,5-trimethylphenyl)methylamino]butan-2-ol
CID 63932252
2-[[(3,4-dimethylphenyl)methylamino]methyl]-2-ethylbutan-1-ol
CID 103845638
4-[[[2-ethyl-2-(hydroxymethyl)butyl]amino]methyl]-3-methylbenzonitrile
CID 106255686
2-[[(2-chloro-4-methylphenyl)methylamino]methyl]-2-ethylbutan-1-ol
CID 106256109
2-methyl-2-[(2,4,5-trimethylphenyl)methylamino]butan-1-ol
CID 64551186
2-ethyl-2-[[(4-methylphenyl)methylamino]methyl]butan-1-ol
CID 81411904
4-[[[2-ethyl-2-(hydroxymethyl)butyl]amino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 103845639
2-ethyl-2-[[(3-methyl-2-pyridinyl)methylamino]methyl]butan-1-ol
CID 81419845
3,3-dimethyl-4-[(2,4,5-trimethylphenyl)methylamino]butanoic acid
CID 115220342
2,4-dimethyl-1-[(2,4,5-trimethylphenyl)methylamino]pentan-2-ol
CID 66178191
N-methyl-N'-[(2,4,5-trimethylphenyl)methyl]methanediamine
CID 115226858
2-ethyl-2-[[(5-methyl-1H-imidazol-4-yl)methylamino]methyl]butan-1-ol
CID 106251314

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[(2,4,5-trimethylphenyl)methylamino]methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[[(2,4,5-trimethylphenyl)methylamino]methyl]butan-1-ol (CID 103845601) is 2-ethyl-2-[[(2,4,5-trimethylphenyl)methylamino]methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[(2,4,5-trimethylphenyl)methylamino]methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[[(2,4,5-trimethylphenyl)methylamino]methyl]butan-1-ol is CCC(CC)(CO)CNCc1cc(C)c(C)cc1C.
What is the InChIKey of 2-ethyl-2-[[(2,4,5-trimethylphenyl)methylamino]methyl]butan-1-ol?
The InChIKey is YSIXSOVOFIKKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-6-17(7-2,12-19)11-18-10-16-9-14(4)13(3)8-15(16)5/h8-9,18-19H,6-7,10-12H2,1-5H3.
What are the key properties of 2-ethyl-2-[[(2,4,5-trimethylphenyl)methylamino]methyl]butan-1-ol?
2-ethyl-2-[[(2,4,5-trimethylphenyl)methylamino]methyl]butan-1-ol has a molecular weight of 263.42 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[(2,4,5-trimethylphenyl)methylamino]methyl]butan-1-ol is sourced from PubChem (CID 103845601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).