2-(4-amino-2-methylbutyl)-6-ethoxyphenol

C13H21NO2 — CID 83930768

IUPAC2-(4-amino-2-methylbutyl)-6-ethoxyphenol
SMILESCCOc1cccc(CC(C)CCN)c1O
InChIInChI=1S/C13H21NO2/c1-3-16-12-6-4-5-11(13(12)15)9-10(2)7-8-14/h4-6,10,15H,3,7-9,14H2,1-2H3
InChIKeyCDCGDVBGDUAJBH-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.32
Rot. Bonds6

About 2-(4-amino-2-methylbutyl)-6-ethoxyphenol

2-(4-amino-2-methylbutyl)-6-ethoxyphenol (PubChem CID 83930768) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(4-amino-2-methylbutyl)-6-ethoxyphenol.

Molecular Properties

Compound Name2-(4-amino-2-methylbutyl)-6-ethoxyphenol
PubChem CID83930768
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-(4-amino-2-methylbutyl)-6-ethoxyphenol
SMILESCCOc1cccc(CC(C)CCN)c1O
InChIInChI=1S/C13H21NO2/c1-3-16-12-6-4-5-11(13(12)15)9-10(2)7-8-14/h4-6,10,15H,3,7-9,14H2,1-2H3
InChIKeyCDCGDVBGDUAJBH-UHFFFAOYSA-N
XLogP2.32
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(3-ethoxy-2-hydroxyphenyl)propanoic acid
CID 62963313
(2S)-3-(2-ethoxyphenyl)-2-methylpropan-1-amine
CID 42325849
2-ethoxy-6-[(2-methylbutylamino)methyl]phenol
CID 62693047
ethyl 2-cyano-3-(3-ethoxy-2-hydroxyphenyl)propanoate
CID 82350256
2-[[2-(dimethylamino)propylamino]methyl]-6-ethoxyphenol
CID 54913244
ethyl 10-(2-hydroxy-3-methoxyphenyl)-9-methyldecanoate
CID 166812215
2-[(2,2-difluoroethylamino)methyl]-6-ethoxyphenol
CID 115405717
methyl 2-[(3-ethoxy-2-hydroxyphenyl)methylamino]propanoate
CID 60780617
2-ethoxy-6-[(1S)-1-hydroxyethyl]phenol
CID 130740621
2-ethoxy-6-[(1R)-1-hydroxyethyl]phenol
CID 130649136
2-ethoxy-6-[(3-methylsulfanylbutylamino)methyl]phenol
CID 115604282
2-[(3-aminoazetidin-1-yl)methyl]-6-ethoxyphenol
CID 65244962

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-methylbutyl)-6-ethoxyphenol?
The IUPAC name of 2-(4-amino-2-methylbutyl)-6-ethoxyphenol (CID 83930768) is 2-(4-amino-2-methylbutyl)-6-ethoxyphenol.
What is the SMILES notation for 2-(4-amino-2-methylbutyl)-6-ethoxyphenol?
The canonical SMILES for 2-(4-amino-2-methylbutyl)-6-ethoxyphenol is CCOc1cccc(CC(C)CCN)c1O.
What is the InChIKey of 2-(4-amino-2-methylbutyl)-6-ethoxyphenol?
The InChIKey is CDCGDVBGDUAJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-16-12-6-4-5-11(13(12)15)9-10(2)7-8-14/h4-6,10,15H,3,7-9,14H2,1-2H3.
What are the key properties of 2-(4-amino-2-methylbutyl)-6-ethoxyphenol?
2-(4-amino-2-methylbutyl)-6-ethoxyphenol has a molecular weight of 223.32 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-methylbutyl)-6-ethoxyphenol is sourced from PubChem (CID 83930768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).