2-[butan-2-yl(2-methoxyethyl)amino]-1-(3,5-dimethylphenyl)ethanol

C17H29NO2 — CID 79040475

IUPAC2-[butan-2-yl(2-methoxyethyl)amino]-1-(3,5-dimethylphenyl)ethanol
SMILESCCC(C)N(CCOC)CC(O)c1cc(C)cc(C)c1
InChIInChI=1S/C17H29NO2/c1-6-15(4)18(7-8-20-5)12-17(19)16-10-13(2)9-14(3)11-16/h9-11,15,17,19H,6-8,12H2,1-5H3
InChIKeyIFPJXPRCSHXIPC-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.08
Rot. Bonds8

About 2-[butan-2-yl(2-methoxyethyl)amino]-1-(3,5-dimethylphenyl)ethanol

2-[butan-2-yl(2-methoxyethyl)amino]-1-(3,5-dimethylphenyl)ethanol (PubChem CID 79040475) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-[butan-2-yl(2-methoxyethyl)amino]-1-(3,5-dimethylphenyl)ethanol.

Molecular Properties

Compound Name2-[butan-2-yl(2-methoxyethyl)amino]-1-(3,5-dimethylphenyl)ethanol
PubChem CID79040475
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-[butan-2-yl(2-methoxyethyl)amino]-1-(3,5-dimethylphenyl)ethanol
SMILESCCC(C)N(CCOC)CC(O)c1cc(C)cc(C)c1
InChIInChI=1S/C17H29NO2/c1-6-15(4)18(7-8-20-5)12-17(19)16-10-13(2)9-14(3)11-16/h9-11,15,17,19H,6-8,12H2,1-5H3
InChIKeyIFPJXPRCSHXIPC-UHFFFAOYSA-N
XLogP3.08
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethylphenyl)-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]ethanol
CID 79037152
2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1-(3,5-dimethylphenyl)ethanol
CID 79037102
1-(3,5-dimethylphenyl)-2-[ethyl(2-methoxyethyl)amino]ethanol
CID 79038389
1-(3,5-dimethylphenyl)-2-[2-methoxyethyl(2-methylpropyl)amino]ethanol
CID 79038886
(2S)-1-[butan-2-yl(2-methoxyethyl)amino]propan-2-ol
CID 103935046
N'-butan-2-yl-N'-(2-methoxyethyl)-1-(3-methylphenyl)ethane-1,2-diamine
CID 54999518
1-(4-bromophenyl)-3-[butan-2-yl(2-methoxyethyl)amino]propan-1-ol
CID 62617478
2-[2-methoxyethyl(propan-2-yl)amino]-1-(4-propylphenyl)ethanol
CID 82960025
2-[2-methoxyethyl(propan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 82938199
3-[butan-2-yl(2-methoxyethyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
CID 115941567
2-[butan-2-yl(2-methoxyethyl)amino]-1-(3-methylphenyl)ethanone
CID 54999936
4-[1-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]ethyl]benzonitrile
CID 82951565

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(2-methoxyethyl)amino]-1-(3,5-dimethylphenyl)ethanol?
The IUPAC name of 2-[butan-2-yl(2-methoxyethyl)amino]-1-(3,5-dimethylphenyl)ethanol (CID 79040475) is 2-[butan-2-yl(2-methoxyethyl)amino]-1-(3,5-dimethylphenyl)ethanol.
What is the SMILES notation for 2-[butan-2-yl(2-methoxyethyl)amino]-1-(3,5-dimethylphenyl)ethanol?
The canonical SMILES for 2-[butan-2-yl(2-methoxyethyl)amino]-1-(3,5-dimethylphenyl)ethanol is CCC(C)N(CCOC)CC(O)c1cc(C)cc(C)c1.
What is the InChIKey of 2-[butan-2-yl(2-methoxyethyl)amino]-1-(3,5-dimethylphenyl)ethanol?
The InChIKey is IFPJXPRCSHXIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-6-15(4)18(7-8-20-5)12-17(19)16-10-13(2)9-14(3)11-16/h9-11,15,17,19H,6-8,12H2,1-5H3.
What are the key properties of 2-[butan-2-yl(2-methoxyethyl)amino]-1-(3,5-dimethylphenyl)ethanol?
2-[butan-2-yl(2-methoxyethyl)amino]-1-(3,5-dimethylphenyl)ethanol has a molecular weight of 279.42 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(2-methoxyethyl)amino]-1-(3,5-dimethylphenyl)ethanol is sourced from PubChem (CID 79040475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).