6-(2-aminopropan-2-yl)-3-fluoro-2-methoxyphenol

C10H14FNO2 — CID 117288541

IUPAC6-(2-aminopropan-2-yl)-3-fluoro-2-methoxyphenol
SMILESCOc1c(F)ccc(C(C)(C)N)c1O
InChIInChI=1S/C10H14FNO2/c1-10(2,12)6-4-5-7(11)9(14-3)8(6)13/h4-5,13H,12H2,1-3H3
InChIKeyKIPPLDHDVYIFMO-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.73
Rot. Bonds2

About 6-(2-aminopropan-2-yl)-3-fluoro-2-methoxyphenol

6-(2-aminopropan-2-yl)-3-fluoro-2-methoxyphenol (PubChem CID 117288541) has the molecular formula C10H14FNO2 and a molecular weight of 199.22 g/mol. Its IUPAC name is 6-(2-aminopropan-2-yl)-3-fluoro-2-methoxyphenol.

Molecular Properties

Compound Name6-(2-aminopropan-2-yl)-3-fluoro-2-methoxyphenol
PubChem CID117288541
Molecular FormulaC10H14FNO2
Molecular Weight199.22 g/mol
Exact Mass199.10
IUPAC Name6-(2-aminopropan-2-yl)-3-fluoro-2-methoxyphenol
SMILESCOc1c(F)ccc(C(C)(C)N)c1O
InChIInChI=1S/C10H14FNO2/c1-10(2,12)6-4-5-7(11)9(14-3)8(6)13/h4-5,13H,12H2,1-3H3
InChIKeyKIPPLDHDVYIFMO-UHFFFAOYSA-N
XLogP1.73
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-6-(2-hydroxypropan-2-yl)-2-methoxyphenol
CID 84669345
6-(2-amino-2-methylpropyl)-3-fluoro-2-methoxyphenol
CID 117304251
6-(2-aminopropan-2-yl)-2-fluoro-3-methylphenol
CID 117279619
6-(2-aminopropan-2-yl)-4-chloro-2-fluoro-3-methoxyphenol
CID 84796633
6-(2-aminooxyethyl)-3-fluoro-2-methoxyphenol
CID 117289866
2-(3,5-difluoro-4-methoxyphenyl)propan-2-amine
CID 84776186
3-fluoro-6-(hydroxymethyl)-2-methoxyphenol
CID 84654293
3-(2-aminopropan-2-yl)-4-bromo-6-fluoro-2-methoxyphenol
CID 117445523
2-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]propan-2-amine
CID 117327201
3-(2-aminopropan-2-yl)-6-methylbenzene-1,2-diol
CID 117278739
2-(2-aminopropan-2-yl)-3,6-difluorophenol
CID 117280747
2-(3-chloro-6-fluoro-2-methoxyphenyl)propan-2-amine
CID 117310322

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopropan-2-yl)-3-fluoro-2-methoxyphenol?
The IUPAC name of 6-(2-aminopropan-2-yl)-3-fluoro-2-methoxyphenol (CID 117288541) is 6-(2-aminopropan-2-yl)-3-fluoro-2-methoxyphenol.
What is the SMILES notation for 6-(2-aminopropan-2-yl)-3-fluoro-2-methoxyphenol?
The canonical SMILES for 6-(2-aminopropan-2-yl)-3-fluoro-2-methoxyphenol is COc1c(F)ccc(C(C)(C)N)c1O.
What is the InChIKey of 6-(2-aminopropan-2-yl)-3-fluoro-2-methoxyphenol?
The InChIKey is KIPPLDHDVYIFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2/c1-10(2,12)6-4-5-7(11)9(14-3)8(6)13/h4-5,13H,12H2,1-3H3.
What are the key properties of 6-(2-aminopropan-2-yl)-3-fluoro-2-methoxyphenol?
6-(2-aminopropan-2-yl)-3-fluoro-2-methoxyphenol has a molecular weight of 199.22 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopropan-2-yl)-3-fluoro-2-methoxyphenol is sourced from PubChem (CID 117288541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).