4-[3-methyl-3-(methylamino)butyl]-2-[(2-methylpropan-2-yl)oxy]phenol

C16H27NO2 — CID 138717789

IUPAC4-[3-methyl-3-(methylamino)butyl]-2-[(2-methylpropan-2-yl)oxy]phenol
SMILESCNC(C)(C)CCc1ccc(O)c(OC(C)(C)C)c1
InChIInChI=1S/C16H27NO2/c1-15(2,3)19-14-11-12(7-8-13(14)18)9-10-16(4,5)17-6/h7-8,11,17-18H,9-10H2,1-6H3
InChIKeyTUPZRDLIWIQLOE-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.50
Rot. Bonds5

About 4-[3-methyl-3-(methylamino)butyl]-2-[(2-methylpropan-2-yl)oxy]phenol

4-[3-methyl-3-(methylamino)butyl]-2-[(2-methylpropan-2-yl)oxy]phenol (PubChem CID 138717789) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-[3-methyl-3-(methylamino)butyl]-2-[(2-methylpropan-2-yl)oxy]phenol.

Molecular Properties

Compound Name4-[3-methyl-3-(methylamino)butyl]-2-[(2-methylpropan-2-yl)oxy]phenol
PubChem CID138717789
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name4-[3-methyl-3-(methylamino)butyl]-2-[(2-methylpropan-2-yl)oxy]phenol
SMILESCNC(C)(C)CCc1ccc(O)c(OC(C)(C)C)c1
InChIInChI=1S/C16H27NO2/c1-15(2,3)19-14-11-12(7-8-13(14)18)9-10-16(4,5)17-6/h7-8,11,17-18H,9-10H2,1-6H3
InChIKeyTUPZRDLIWIQLOE-UHFFFAOYSA-N
XLogP3.50
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-4-[3-methyl-3-[[4-(trifluoromethyl)phenyl]methylamino]butyl]phenol
CID 71277035
4-(2-aminoethyl)-2-(trifluoromethoxy)phenol
CID 170868556
2-(4-hydroxy-3-methoxyphenyl)ethylazanium
CID 6927014
4-(3-methylbutyl)-2-(trifluoromethoxy)phenol
CID 123306584
2-[4-[4-hydroxy-3-[(2-methylpropan-2-yl)oxy]phenyl]-2-methylbutan-2-yl]-N,N-dimethyl-1,3-dihydroisoindole-4-carboxamide
CID 118282980
ethane;4-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)propyl]-2-[(2-methylpropan-2-yl)oxy]phenol
CID 144898004
1,7-bis(4-hydroxy-3-methoxyphenyl)-4,4-dimethylheptane-3,5-diol
CID 163420206
1-(4-hydroxy-3-methoxyphenyl)-4,4-dimethylpentan-3-one
CID 71334151
ethane;2-methoxy-4-propylphenol
CID 144852330
2-amino-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-methylpropanamide
CID 67520120
[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]methanol
CID 139947952
2-[2-hydroxy-5-[2-(4-hydroxyphenyl)ethyl]phenoxy]-4-[2-(4-hydroxyphenyl)ethyl]phenol
CID 172870512

Frequently Asked Questions

What is the IUPAC name of 4-[3-methyl-3-(methylamino)butyl]-2-[(2-methylpropan-2-yl)oxy]phenol?
The IUPAC name of 4-[3-methyl-3-(methylamino)butyl]-2-[(2-methylpropan-2-yl)oxy]phenol (CID 138717789) is 4-[3-methyl-3-(methylamino)butyl]-2-[(2-methylpropan-2-yl)oxy]phenol.
What is the SMILES notation for 4-[3-methyl-3-(methylamino)butyl]-2-[(2-methylpropan-2-yl)oxy]phenol?
The canonical SMILES for 4-[3-methyl-3-(methylamino)butyl]-2-[(2-methylpropan-2-yl)oxy]phenol is CNC(C)(C)CCc1ccc(O)c(OC(C)(C)C)c1.
What is the InChIKey of 4-[3-methyl-3-(methylamino)butyl]-2-[(2-methylpropan-2-yl)oxy]phenol?
The InChIKey is TUPZRDLIWIQLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-15(2,3)19-14-11-12(7-8-13(14)18)9-10-16(4,5)17-6/h7-8,11,17-18H,9-10H2,1-6H3.
What are the key properties of 4-[3-methyl-3-(methylamino)butyl]-2-[(2-methylpropan-2-yl)oxy]phenol?
4-[3-methyl-3-(methylamino)butyl]-2-[(2-methylpropan-2-yl)oxy]phenol has a molecular weight of 265.40 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methyl-3-(methylamino)butyl]-2-[(2-methylpropan-2-yl)oxy]phenol is sourced from PubChem (CID 138717789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).