6-(4-aminobutan-2-yl)-2,4-difluoro-3-methoxyphenol

C11H15F2NO2 — CID 84794194

IUPAC6-(4-aminobutan-2-yl)-2,4-difluoro-3-methoxyphenol
SMILESCOc1c(F)cc(C(C)CCN)c(O)c1F
InChIInChI=1S/C11H15F2NO2/c1-6(3-4-14)7-5-8(12)11(16-2)9(13)10(7)15/h5-6,15H,3-4,14H2,1-2H3
InChIKeyAMUISYGTNCYQHI-UHFFFAOYSA-N
MW231.24 g/mol
LogP2.13
Rot. Bonds4

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

6-(4-aminobutan-2-yl)-2,4-difluoro-3-methoxyphenol (PubChem CID 84794194) has the molecular formula C11H15F2NO2 and a molecular weight of 231.24 g/mol. Its IUPAC name is 6-(4-aminobutan-2-yl)-2,4-difluoro-3-methoxyphenol.

Molecular Properties

Compound Name6-(4-aminobutan-2-yl)-2,4-difluoro-3-methoxyphenol
PubChem CID84794194
Molecular FormulaC11H15F2NO2
Molecular Weight231.24 g/mol
Exact Mass231.11
IUPAC Name6-(4-aminobutan-2-yl)-2,4-difluoro-3-methoxyphenol
SMILESCOc1c(F)cc(C(C)CCN)c(O)c1F
InChIInChI=1S/C11H15F2NO2/c1-6(3-4-14)7-5-8(12)11(16-2)9(13)10(7)15/h5-6,15H,3-4,14H2,1-2H3
InChIKeyAMUISYGTNCYQHI-UHFFFAOYSA-N
XLogP2.13
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-(4-aminobutan-2-yl)-2,4-difluoro-3-methoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(4-aminobutan-2-yl)-2-bromo-3,4-dimethoxyphenol
CID 117489376
4-(4-aminobutan-2-yl)-2-bromo-6-fluorobenzene-1,3-diol
CID 84811290
6-(1-aminopropan-2-yl)-4-bromo-2-fluoro-3-methoxyphenol
CID 84811300
3-(7-fluoro-6-methoxy-1,3-benzodioxol-5-yl)butan-1-amine
CID 117354821
3-(4-aminobutan-2-yl)-5-chloro-4-fluoro-2-methoxyphenol
CID 117372479
3-(4-aminobutan-2-yl)-5-bromo-4-fluoro-2-methoxyphenol
CID 117471638
3-(3-fluoro-4,5-dimethoxyphenyl)butan-1-amine
CID 117327114
methyl 5-(4-aminobutan-2-yl)-3-fluoro-2-methoxybenzoate
CID 117391059
2-(3,5-difluoro-2-methoxyphenyl)propan-1-amine
CID 83880858
3-(2,4-difluoro-5-methoxyphenyl)butan-1-amine
CID 117306573
6-(3-amino-1-hydroxypropyl)-3-fluoro-2-methoxyphenol
CID 84680912
3-(5-chloro-2,4-dimethoxy-3-methylphenyl)butan-1-amine
CID 117398173

Frequently Asked Questions

What is the IUPAC name of 6-(4-aminobutan-2-yl)-2,4-difluoro-3-methoxyphenol?
The IUPAC name of 6-(4-aminobutan-2-yl)-2,4-difluoro-3-methoxyphenol (CID 84794194) is 6-(4-aminobutan-2-yl)-2,4-difluoro-3-methoxyphenol.
What is the SMILES notation for 6-(4-aminobutan-2-yl)-2,4-difluoro-3-methoxyphenol?
The canonical SMILES for 6-(4-aminobutan-2-yl)-2,4-difluoro-3-methoxyphenol is COc1c(F)cc(C(C)CCN)c(O)c1F.
What is the InChIKey of 6-(4-aminobutan-2-yl)-2,4-difluoro-3-methoxyphenol?
The InChIKey is AMUISYGTNCYQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO2/c1-6(3-4-14)7-5-8(12)11(16-2)9(13)10(7)15/h5-6,15H,3-4,14H2,1-2H3.
What are the key properties of 6-(4-aminobutan-2-yl)-2,4-difluoro-3-methoxyphenol?
6-(4-aminobutan-2-yl)-2,4-difluoro-3-methoxyphenol has a molecular weight of 231.24 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-aminobutan-2-yl)-2,4-difluoro-3-methoxyphenol is sourced from PubChem (CID 84794194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).