2-(1-aminopropan-2-yl)-3,4-difluoro-6-methoxyphenol

C10H13F2NO2 — CID 117309015

IUPAC2-(1-aminopropan-2-yl)-3,4-difluoro-6-methoxyphenol
SMILESCOc1cc(F)c(F)c(C(C)CN)c1O
InChIInChI=1S/C10H13F2NO2/c1-5(4-13)8-9(12)6(11)3-7(15-2)10(8)14/h3,5,14H,4,13H2,1-2H3
InChIKeyPZZMIFFRLGCSCK-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.74
Rot. Bonds3

About 2-(1-aminopropan-2-yl)-3,4-difluoro-6-methoxyphenol

2-(1-aminopropan-2-yl)-3,4-difluoro-6-methoxyphenol (PubChem CID 117309015) has the molecular formula C10H13F2NO2 and a molecular weight of 217.22 g/mol. Its IUPAC name is 2-(1-aminopropan-2-yl)-3,4-difluoro-6-methoxyphenol.

Molecular Properties

Compound Name2-(1-aminopropan-2-yl)-3,4-difluoro-6-methoxyphenol
PubChem CID117309015
Molecular FormulaC10H13F2NO2
Molecular Weight217.22 g/mol
Exact Mass217.09
IUPAC Name2-(1-aminopropan-2-yl)-3,4-difluoro-6-methoxyphenol
SMILESCOc1cc(F)c(F)c(C(C)CN)c1O
InChIInChI=1S/C10H13F2NO2/c1-5(4-13)8-9(12)6(11)3-7(15-2)10(8)14/h3,5,14H,4,13H2,1-2H3
InChIKeyPZZMIFFRLGCSCK-UHFFFAOYSA-N
XLogP1.74
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminopropan-2-yl)-4-chloro-3-fluoro-6-methoxyphenol
CID 117339631
2-(2,6-difluoro-3,5-dimethoxyphenyl)propan-1-amine
CID 117333864
2-(2-amino-1-hydroxyethyl)-3-chloro-4-fluoro-6-methoxyphenol
CID 117343844
4-amino-4-(2,3-difluoro-6-hydroxy-5-methoxyphenyl)butanoic acid
CID 117406577
2-(1-aminopropan-2-yl)-5-fluoro-3-methoxyphenol
CID 117288596
3-(4-aminobutan-2-yl)-4-bromo-2-fluoro-6-methoxyphenol
CID 117471634
3-(1-aminopropan-2-yl)-2-fluoro-6-methoxyphenol
CID 117288592
2-(2-amino-1-hydroxyethyl)-4-chloro-3-fluoro-6-methoxyphenol
CID 117343845
2-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)propan-1-amine
CID 117471666
2-(5-bromo-2-fluoro-4-methoxyphenyl)propan-1-amine
CID 84806984
2-(2-aminoethyl)-3-chloro-4-fluoro-6-methoxyphenol
CID 117313606
2-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)propan-1-amine
CID 117324048

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropan-2-yl)-3,4-difluoro-6-methoxyphenol?
The IUPAC name of 2-(1-aminopropan-2-yl)-3,4-difluoro-6-methoxyphenol (CID 117309015) is 2-(1-aminopropan-2-yl)-3,4-difluoro-6-methoxyphenol.
What is the SMILES notation for 2-(1-aminopropan-2-yl)-3,4-difluoro-6-methoxyphenol?
The canonical SMILES for 2-(1-aminopropan-2-yl)-3,4-difluoro-6-methoxyphenol is COc1cc(F)c(F)c(C(C)CN)c1O.
What is the InChIKey of 2-(1-aminopropan-2-yl)-3,4-difluoro-6-methoxyphenol?
The InChIKey is PZZMIFFRLGCSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO2/c1-5(4-13)8-9(12)6(11)3-7(15-2)10(8)14/h3,5,14H,4,13H2,1-2H3.
What are the key properties of 2-(1-aminopropan-2-yl)-3,4-difluoro-6-methoxyphenol?
2-(1-aminopropan-2-yl)-3,4-difluoro-6-methoxyphenol has a molecular weight of 217.22 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropan-2-yl)-3,4-difluoro-6-methoxyphenol is sourced from PubChem (CID 117309015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).