4-[2-methoxy-3-(propan-2-ylamino)propoxy]-2,3,6-trimethylphenol

C16H27NO3 — CID 167295370

IUPAC4-[2-methoxy-3-(propan-2-ylamino)propoxy]-2,3,6-trimethylphenol
SMILESCOC(CNC(C)C)COc1cc(C)c(O)c(C)c1C
InChIInChI=1S/C16H27NO3/c1-10(2)17-8-14(19-6)9-20-15-7-11(3)16(18)13(5)12(15)4/h7,10,14,17-18H,8-9H2,1-6H3
InChIKeyNJOKUVAWHJLCBQ-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.71
Rot. Bonds7

About 4-[2-methoxy-3-(propan-2-ylamino)propoxy]-2,3,6-trimethylphenol

4-[2-methoxy-3-(propan-2-ylamino)propoxy]-2,3,6-trimethylphenol (PubChem CID 167295370) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-[2-methoxy-3-(propan-2-ylamino)propoxy]-2,3,6-trimethylphenol.

Molecular Properties

Compound Name4-[2-methoxy-3-(propan-2-ylamino)propoxy]-2,3,6-trimethylphenol
PubChem CID167295370
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name4-[2-methoxy-3-(propan-2-ylamino)propoxy]-2,3,6-trimethylphenol
SMILESCOC(CNC(C)C)COc1cc(C)c(O)c(C)c1C
InChIInChI=1S/C16H27NO3/c1-10(2)17-8-14(19-6)9-20-15-7-11(3)16(18)13(5)12(15)4/h7,10,14,17-18H,8-9H2,1-6H3
InChIKeyNJOKUVAWHJLCBQ-UHFFFAOYSA-N
XLogP2.71
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methoxy-3-(propan-2-ylamino)propoxy]-2,3,6-trimethylphenol?
The IUPAC name of 4-[2-methoxy-3-(propan-2-ylamino)propoxy]-2,3,6-trimethylphenol (CID 167295370) is 4-[2-methoxy-3-(propan-2-ylamino)propoxy]-2,3,6-trimethylphenol.
What is the SMILES notation for 4-[2-methoxy-3-(propan-2-ylamino)propoxy]-2,3,6-trimethylphenol?
The canonical SMILES for 4-[2-methoxy-3-(propan-2-ylamino)propoxy]-2,3,6-trimethylphenol is COC(CNC(C)C)COc1cc(C)c(O)c(C)c1C.
What is the InChIKey of 4-[2-methoxy-3-(propan-2-ylamino)propoxy]-2,3,6-trimethylphenol?
The InChIKey is NJOKUVAWHJLCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-10(2)17-8-14(19-6)9-20-15-7-11(3)16(18)13(5)12(15)4/h7,10,14,17-18H,8-9H2,1-6H3.
What are the key properties of 4-[2-methoxy-3-(propan-2-ylamino)propoxy]-2,3,6-trimethylphenol?
4-[2-methoxy-3-(propan-2-ylamino)propoxy]-2,3,6-trimethylphenol has a molecular weight of 281.40 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methoxy-3-(propan-2-ylamino)propoxy]-2,3,6-trimethylphenol is sourced from PubChem (CID 167295370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).