2-[3-amino-2-(diethylamino)-2-methylpropyl]-6-ethoxyphenol

C16H28N2O2 — CID 84746530

IUPAC2-[3-amino-2-(diethylamino)-2-methylpropyl]-6-ethoxyphenol
SMILESCCOc1cccc(CC(C)(CN)N(CC)CC)c1O
InChIInChI=1S/C16H28N2O2/c1-5-18(6-2)16(4,12-17)11-13-9-8-10-14(15(13)19)20-7-3/h8-10,19H,5-7,11-12,17H2,1-4H3
InChIKeyRYRSQURMTKQBMR-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.39
Rot. Bonds8

About 2-[3-amino-2-(diethylamino)-2-methylpropyl]-6-ethoxyphenol

2-[3-amino-2-(diethylamino)-2-methylpropyl]-6-ethoxyphenol (PubChem CID 84746530) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-[3-amino-2-(diethylamino)-2-methylpropyl]-6-ethoxyphenol.

Molecular Properties

Compound Name2-[3-amino-2-(diethylamino)-2-methylpropyl]-6-ethoxyphenol
PubChem CID84746530
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name2-[3-amino-2-(diethylamino)-2-methylpropyl]-6-ethoxyphenol
SMILESCCOc1cccc(CC(C)(CN)N(CC)CC)c1O
InChIInChI=1S/C16H28N2O2/c1-5-18(6-2)16(4,12-17)11-13-9-8-10-14(15(13)19)20-7-3/h8-10,19H,5-7,11-12,17H2,1-4H3
InChIKeyRYRSQURMTKQBMR-UHFFFAOYSA-N
XLogP2.39
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)-3-(3-ethoxy-2-hydroxyphenyl)-2-methylpropanenitrile
CID 84751935
3-(3-ethoxy-2-hydroxyphenyl)-2-methyl-2-piperidin-1-ylpropanenitrile
CID 84750326
2-(4-amino-2-methylbutyl)-6-ethoxyphenol
CID 83930768
2-ethoxy-6-[(3-ethylpentan-3-ylamino)methyl]phenol
CID 65039266
2-N-ethyl-2-N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylbutane-1,2-diamine
CID 104791386
2-[(3,3-dimethylbutylamino)methyl]-6-ethoxyphenol
CID 115603081
2-ethoxy-6-(3-sulfanylpropyl)phenol
CID 83930701
2-ethoxy-6-heptadecylphenol
CID 10499794
2-ethoxy-6-[[(2-ethoxy-2-methylpropyl)amino]methyl]phenol
CID 114941057
2-[[2-(dimethylamino)propylamino]methyl]-6-ethoxyphenol
CID 54913244
2-ethoxy-6-[[methyl(pentan-3-yl)amino]methyl]phenol
CID 82976872
2-ethoxy-6-[[4-(trifluoromethoxy)anilino]methyl]phenol
CID 51047362

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-2-(diethylamino)-2-methylpropyl]-6-ethoxyphenol?
The IUPAC name of 2-[3-amino-2-(diethylamino)-2-methylpropyl]-6-ethoxyphenol (CID 84746530) is 2-[3-amino-2-(diethylamino)-2-methylpropyl]-6-ethoxyphenol.
What is the SMILES notation for 2-[3-amino-2-(diethylamino)-2-methylpropyl]-6-ethoxyphenol?
The canonical SMILES for 2-[3-amino-2-(diethylamino)-2-methylpropyl]-6-ethoxyphenol is CCOc1cccc(CC(C)(CN)N(CC)CC)c1O.
What is the InChIKey of 2-[3-amino-2-(diethylamino)-2-methylpropyl]-6-ethoxyphenol?
The InChIKey is RYRSQURMTKQBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-5-18(6-2)16(4,12-17)11-13-9-8-10-14(15(13)19)20-7-3/h8-10,19H,5-7,11-12,17H2,1-4H3.
What are the key properties of 2-[3-amino-2-(diethylamino)-2-methylpropyl]-6-ethoxyphenol?
2-[3-amino-2-(diethylamino)-2-methylpropyl]-6-ethoxyphenol has a molecular weight of 280.41 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-2-(diethylamino)-2-methylpropyl]-6-ethoxyphenol is sourced from PubChem (CID 84746530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).