3-(4-aminobutan-2-yl)-5-chloro-4-fluoro-2-methoxyphenol

C11H15ClFNO2 — CID 117372479

IUPAC3-(4-aminobutan-2-yl)-5-chloro-4-fluoro-2-methoxyphenol
SMILESCOc1c(O)cc(Cl)c(F)c1C(C)CCN
InChIInChI=1S/C11H15ClFNO2/c1-6(3-4-14)9-10(13)7(12)5-8(15)11(9)16-2/h5-6,15H,3-4,14H2,1-2H3
InChIKeyDXTGPORORQPKJY-UHFFFAOYSA-N
MW247.70 g/mol
LogP2.65
Rot. Bonds4

About 3-(4-aminobutan-2-yl)-5-chloro-4-fluoro-2-methoxyphenol

3-(4-aminobutan-2-yl)-5-chloro-4-fluoro-2-methoxyphenol (PubChem CID 117372479) has the molecular formula C11H15ClFNO2 and a molecular weight of 247.70 g/mol. Its IUPAC name is 3-(4-aminobutan-2-yl)-5-chloro-4-fluoro-2-methoxyphenol.

Molecular Properties

Compound Name3-(4-aminobutan-2-yl)-5-chloro-4-fluoro-2-methoxyphenol
PubChem CID117372479
Molecular FormulaC11H15ClFNO2
Molecular Weight247.70 g/mol
Exact Mass247.08
IUPAC Name3-(4-aminobutan-2-yl)-5-chloro-4-fluoro-2-methoxyphenol
SMILESCOc1c(O)cc(Cl)c(F)c1C(C)CCN
InChIInChI=1S/C11H15ClFNO2/c1-6(3-4-14)9-10(13)7(12)5-8(15)11(9)16-2/h5-6,15H,3-4,14H2,1-2H3
InChIKeyDXTGPORORQPKJY-UHFFFAOYSA-N
XLogP2.65
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.70
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-4-fluoro-3-(1-hydroxypropan-2-yl)-2-methoxyphenol
CID 117341372
3-(4-aminobutan-2-yl)-5-bromo-4-fluoro-2-methoxyphenol
CID 117471638
3-(3-chloro-2,6-difluoro-5-methylphenyl)butan-1-amine
CID 117339667
2-amino-2-(3-chloro-2-fluoro-5-hydroxy-6-methoxyphenyl)acetic acid
CID 117377798
3-(2-chloro-6-fluoro-4-methoxyphenyl)butan-1-amine
CID 84795108
5-chloro-3,4-difluoro-2-methoxyphenol
CID 84665736
6-(4-aminobutan-2-yl)-2,4-difluoro-3-methoxyphenol
CID 84794194
5-chloro-4-fluoro-3-methoxybenzene-1,2-diol
CID 84664376
2-(1-aminopropan-2-yl)-4-chloro-3-fluoro-6-methoxyphenol
CID 117339631
3-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)butan-1-amine
CID 117491312
3-(2-amino-1-hydroxyethyl)-4-chloro-5-fluoro-2-methoxyphenol
CID 117343843
5-chloro-4-fluoro-3-(1-hydroxypropan-2-yl)benzene-1,2-diol
CID 117314997

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminobutan-2-yl)-5-chloro-4-fluoro-2-methoxyphenol?
The IUPAC name of 3-(4-aminobutan-2-yl)-5-chloro-4-fluoro-2-methoxyphenol (CID 117372479) is 3-(4-aminobutan-2-yl)-5-chloro-4-fluoro-2-methoxyphenol.
What is the SMILES notation for 3-(4-aminobutan-2-yl)-5-chloro-4-fluoro-2-methoxyphenol?
The canonical SMILES for 3-(4-aminobutan-2-yl)-5-chloro-4-fluoro-2-methoxyphenol is COc1c(O)cc(Cl)c(F)c1C(C)CCN.
What is the InChIKey of 3-(4-aminobutan-2-yl)-5-chloro-4-fluoro-2-methoxyphenol?
The InChIKey is DXTGPORORQPKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO2/c1-6(3-4-14)9-10(13)7(12)5-8(15)11(9)16-2/h5-6,15H,3-4,14H2,1-2H3.
What are the key properties of 3-(4-aminobutan-2-yl)-5-chloro-4-fluoro-2-methoxyphenol?
3-(4-aminobutan-2-yl)-5-chloro-4-fluoro-2-methoxyphenol has a molecular weight of 247.70 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminobutan-2-yl)-5-chloro-4-fluoro-2-methoxyphenol is sourced from PubChem (CID 117372479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).