4-(2-tert-butyl-5-methylphenoxy)-2-(methylamino)butan-1-ol

C16H27NO2 — CID 64811237

IUPAC4-(2-tert-butyl-5-methylphenoxy)-2-(methylamino)butan-1-ol
SMILESCNC(CO)CCOc1cc(C)ccc1C(C)(C)C
InChIInChI=1S/C16H27NO2/c1-12-6-7-14(16(2,3)4)15(10-12)19-9-8-13(11-18)17-5/h6-7,10,13,17-18H,8-9,11H2,1-5H3
InChIKeyOCRQUEJNKCXPDQ-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.64
Rot. Bonds6

About 4-(2-tert-butyl-5-methylphenoxy)-2-(methylamino)butan-1-ol

4-(2-tert-butyl-5-methylphenoxy)-2-(methylamino)butan-1-ol (PubChem CID 64811237) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-(2-tert-butyl-5-methylphenoxy)-2-(methylamino)butan-1-ol.

Molecular Properties

Compound Name4-(2-tert-butyl-5-methylphenoxy)-2-(methylamino)butan-1-ol
PubChem CID64811237
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name4-(2-tert-butyl-5-methylphenoxy)-2-(methylamino)butan-1-ol
SMILESCNC(CO)CCOc1cc(C)ccc1C(C)(C)C
InChIInChI=1S/C16H27NO2/c1-12-6-7-14(16(2,3)4)15(10-12)19-9-8-13(11-18)17-5/h6-7,10,13,17-18H,8-9,11H2,1-5H3
InChIKeyOCRQUEJNKCXPDQ-UHFFFAOYSA-N
XLogP2.64
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-fluoro-5-methylphenoxy)-2-(methylamino)butan-1-ol
CID 64856313
4-(2-tert-butyl-5-methylphenoxy)-2-(methylamino)butanoic acid
CID 63039632
6-(2-tert-butyl-5-methylphenoxy)hexan-3-ol
CID 106802628
N-[2-(2-tert-butyl-5-methylphenoxy)ethyl]-2-methylpropan-1-amine
CID 55196770
2-(2-tert-butyl-5-methylphenoxy)-N-methylacetamide
CID 19168129
1-tert-butyl-2-(2-chloroethoxy)-4-methylbenzene
CID 43135637
2-(methylamino)-4-[2-(trifluoromethyl)phenoxy]butan-1-ol
CID 64803666
2-(4-bromobutoxy)-1-tert-butyl-4-methylbenzene
CID 43165224
4-(2-methoxyphenoxy)-2-(methylamino)butan-1-ol
CID 64803973
4-(2-tert-butyl-5-methylphenoxy)butanethioamide
CID 29013024
4-(2,4-difluorophenoxy)-2-(methylamino)butan-1-ol
CID 64803462
1-(2-tert-butyl-5-methylphenoxy)-N-ethyl-3-methoxypropan-2-amine
CID 107506741

Frequently Asked Questions

What is the IUPAC name of 4-(2-tert-butyl-5-methylphenoxy)-2-(methylamino)butan-1-ol?
The IUPAC name of 4-(2-tert-butyl-5-methylphenoxy)-2-(methylamino)butan-1-ol (CID 64811237) is 4-(2-tert-butyl-5-methylphenoxy)-2-(methylamino)butan-1-ol.
What is the SMILES notation for 4-(2-tert-butyl-5-methylphenoxy)-2-(methylamino)butan-1-ol?
The canonical SMILES for 4-(2-tert-butyl-5-methylphenoxy)-2-(methylamino)butan-1-ol is CNC(CO)CCOc1cc(C)ccc1C(C)(C)C.
What is the InChIKey of 4-(2-tert-butyl-5-methylphenoxy)-2-(methylamino)butan-1-ol?
The InChIKey is OCRQUEJNKCXPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-12-6-7-14(16(2,3)4)15(10-12)19-9-8-13(11-18)17-5/h6-7,10,13,17-18H,8-9,11H2,1-5H3.
What are the key properties of 4-(2-tert-butyl-5-methylphenoxy)-2-(methylamino)butan-1-ol?
4-(2-tert-butyl-5-methylphenoxy)-2-(methylamino)butan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tert-butyl-5-methylphenoxy)-2-(methylamino)butan-1-ol is sourced from PubChem (CID 64811237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).