6-(2-aminopropan-2-yl)-4-chloro-2-fluoro-3-methoxyphenol

C10H13ClFNO2 — CID 84796633

IUPAC6-(2-aminopropan-2-yl)-4-chloro-2-fluoro-3-methoxyphenol
SMILESCOc1c(Cl)cc(C(C)(C)N)c(O)c1F
InChIInChI=1S/C10H13ClFNO2/c1-10(2,13)5-4-6(11)9(15-3)7(12)8(5)14/h4,14H,13H2,1-3H3
InChIKeyJBZHNHDSVZSZCK-UHFFFAOYSA-N
MW233.67 g/mol
LogP2.39
Rot. Bonds2

About 6-(2-aminopropan-2-yl)-4-chloro-2-fluoro-3-methoxyphenol

6-(2-aminopropan-2-yl)-4-chloro-2-fluoro-3-methoxyphenol (PubChem CID 84796633) has the molecular formula C10H13ClFNO2 and a molecular weight of 233.67 g/mol. Its IUPAC name is 6-(2-aminopropan-2-yl)-4-chloro-2-fluoro-3-methoxyphenol.

Molecular Properties

Compound Name6-(2-aminopropan-2-yl)-4-chloro-2-fluoro-3-methoxyphenol
PubChem CID84796633
Molecular FormulaC10H13ClFNO2
Molecular Weight233.67 g/mol
Exact Mass233.06
IUPAC Name6-(2-aminopropan-2-yl)-4-chloro-2-fluoro-3-methoxyphenol
SMILESCOc1c(Cl)cc(C(C)(C)N)c(O)c1F
InChIInChI=1S/C10H13ClFNO2/c1-10(2,13)5-4-6(11)9(15-3)7(12)8(5)14/h4,14H,13H2,1-3H3
InChIKeyJBZHNHDSVZSZCK-UHFFFAOYSA-N
XLogP2.39
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.67
LogP ≤ 52.39
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

2-(5-chloro-2,4-difluoro-3-methoxyphenyl)propan-2-amine
CID 117343901
2-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)propan-2-amine
CID 117372512
4-(2-aminopropan-2-yl)-2,6-difluorobenzene-1,3-diol
CID 84777103
2-(5-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)propan-2-amine
CID 117432460
2-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)propan-2-amine
CID 117398199
5-chloro-3-fluoro-2-hydroxy-4-methoxybenzaldehyde
CID 84778086
3-(5-chloro-3-fluoro-2-hydroxy-4-methoxyphenyl)-2,2-dimethylpropanoic acid
CID 117443306
6-(2-aminopropan-2-yl)-3-fluoro-2-methoxyphenol
CID 117288541
4-chloro-2-fluoro-6-(2-hydroxyethyl)-3-methoxyphenol
CID 117314991
(5-chloro-2,3-difluoro-4-methoxyphenyl)methanamine
CID 84675684
4-bromo-6-chloro-2-fluoro-3-methoxyphenol
CID 84805039
2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-2-amine
CID 117335610

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopropan-2-yl)-4-chloro-2-fluoro-3-methoxyphenol?
The IUPAC name of 6-(2-aminopropan-2-yl)-4-chloro-2-fluoro-3-methoxyphenol (CID 84796633) is 6-(2-aminopropan-2-yl)-4-chloro-2-fluoro-3-methoxyphenol.
What is the SMILES notation for 6-(2-aminopropan-2-yl)-4-chloro-2-fluoro-3-methoxyphenol?
The canonical SMILES for 6-(2-aminopropan-2-yl)-4-chloro-2-fluoro-3-methoxyphenol is COc1c(Cl)cc(C(C)(C)N)c(O)c1F.
What is the InChIKey of 6-(2-aminopropan-2-yl)-4-chloro-2-fluoro-3-methoxyphenol?
The InChIKey is JBZHNHDSVZSZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO2/c1-10(2,13)5-4-6(11)9(15-3)7(12)8(5)14/h4,14H,13H2,1-3H3.
What are the key properties of 6-(2-aminopropan-2-yl)-4-chloro-2-fluoro-3-methoxyphenol?
6-(2-aminopropan-2-yl)-4-chloro-2-fluoro-3-methoxyphenol has a molecular weight of 233.67 g/mol, XLogP of 2.39, 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)-4-chloro-2-fluoro-3-methoxyphenol is sourced from PubChem (CID 84796633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).