6-(2-amino-2-methylpropyl)-3-fluoro-2-methoxyphenol

C11H16FNO2 — CID 117304251

IUPAC6-(2-amino-2-methylpropyl)-3-fluoro-2-methoxyphenol
SMILESCOc1c(F)ccc(CC(C)(C)N)c1O
InChIInChI=1S/C11H16FNO2/c1-11(2,13)6-7-4-5-8(12)10(15-3)9(7)14/h4-5,14H,6,13H2,1-3H3
InChIKeyCMMJORRJHBZVPV-UHFFFAOYSA-N
MW213.25 g/mol
LogP1.82
Rot. Bonds3

About 6-(2-amino-2-methylpropyl)-3-fluoro-2-methoxyphenol

6-(2-amino-2-methylpropyl)-3-fluoro-2-methoxyphenol (PubChem CID 117304251) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is 6-(2-amino-2-methylpropyl)-3-fluoro-2-methoxyphenol.

Molecular Properties

Compound Name6-(2-amino-2-methylpropyl)-3-fluoro-2-methoxyphenol
PubChem CID117304251
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC Name6-(2-amino-2-methylpropyl)-3-fluoro-2-methoxyphenol
SMILESCOc1c(F)ccc(CC(C)(C)N)c1O
InChIInChI=1S/C11H16FNO2/c1-11(2,13)6-7-4-5-8(12)10(15-3)9(7)14/h4-5,14H,6,13H2,1-3H3
InChIKeyCMMJORRJHBZVPV-UHFFFAOYSA-N
XLogP1.82
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-6-(hydroxymethyl)-2-methoxyphenol
CID 84654293
1-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]-2-methylpropan-2-amine
CID 117355422
6-(2-aminopropan-2-yl)-3-fluoro-2-methoxyphenol
CID 117288541
3-(2-amino-2-methylpropyl)-6-bromo-2-methoxyphenol
CID 117437685
6-(2-aminooxyethyl)-3-fluoro-2-methoxyphenol
CID 117289866
1-(2-fluoro-3,4-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117327193
6-(2-amino-2-methylpropyl)-3-methoxy-2-methylphenol
CID 117299283
3-fluoro-6-(3-hydroxypropyl)-2-methoxyphenol
CID 117289242
1-(3-fluoro-2,6-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117327192
3-fluoro-2-methoxy-6-[2-(methylamino)ethyl]phenol
CID 84668839
6-(2-amino-2-methylpropyl)-2-methoxy-3,4-dimethylphenol
CID 117320493
3-fluoro-6-(2-hydroxypropan-2-yl)-2-methoxyphenol
CID 84669345

Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-2-methylpropyl)-3-fluoro-2-methoxyphenol?
The IUPAC name of 6-(2-amino-2-methylpropyl)-3-fluoro-2-methoxyphenol (CID 117304251) is 6-(2-amino-2-methylpropyl)-3-fluoro-2-methoxyphenol.
What is the SMILES notation for 6-(2-amino-2-methylpropyl)-3-fluoro-2-methoxyphenol?
The canonical SMILES for 6-(2-amino-2-methylpropyl)-3-fluoro-2-methoxyphenol is COc1c(F)ccc(CC(C)(C)N)c1O.
What is the InChIKey of 6-(2-amino-2-methylpropyl)-3-fluoro-2-methoxyphenol?
The InChIKey is CMMJORRJHBZVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2/c1-11(2,13)6-7-4-5-8(12)10(15-3)9(7)14/h4-5,14H,6,13H2,1-3H3.
What are the key properties of 6-(2-amino-2-methylpropyl)-3-fluoro-2-methoxyphenol?
6-(2-amino-2-methylpropyl)-3-fluoro-2-methoxyphenol has a molecular weight of 213.25 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-2-methylpropyl)-3-fluoro-2-methoxyphenol is sourced from PubChem (CID 117304251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).