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

C10H13ClFNO — CID 84785858

IUPAC2-(2-aminopropan-2-yl)-3-chloro-6-fluoro-4-methylphenol
SMILESCc1cc(F)c(O)c(C(C)(C)N)c1Cl
InChIInChI=1S/C10H13ClFNO/c1-5-4-6(12)9(14)7(8(5)11)10(2,3)13/h4,14H,13H2,1-3H3
InChIKeyDDQHEYPVBZUVRH-UHFFFAOYSA-N
MW217.67 g/mol
LogP2.69
Rot. Bonds1

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

2-(2-aminopropan-2-yl)-3-chloro-6-fluoro-4-methylphenol (PubChem CID 84785858) has the molecular formula C10H13ClFNO and a molecular weight of 217.67 g/mol. Its IUPAC name is 2-(2-aminopropan-2-yl)-3-chloro-6-fluoro-4-methylphenol.

Molecular Properties

Compound Name2-(2-aminopropan-2-yl)-3-chloro-6-fluoro-4-methylphenol
PubChem CID84785858
Molecular FormulaC10H13ClFNO
Molecular Weight217.67 g/mol
Exact Mass217.07
IUPAC Name2-(2-aminopropan-2-yl)-3-chloro-6-fluoro-4-methylphenol
SMILESCc1cc(F)c(O)c(C(C)(C)N)c1Cl
InChIInChI=1S/C10H13ClFNO/c1-5-4-6(12)9(14)7(8(5)11)10(2,3)13/h4,14H,13H2,1-3H3
InChIKeyDDQHEYPVBZUVRH-UHFFFAOYSA-N
XLogP2.69
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.67
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminopropan-2-yl)-3-bromo-6-fluoro-4-methylphenol
CID 84807026
2-amino-3-chloro-6-fluoro-4-methylphenol
CID 84655409
2-(2-aminopropan-2-yl)-3,6-difluorophenol
CID 117280747
4-(2-aminopropan-2-yl)-3-chloro-5-fluorophenol
CID 84777632
5-(2-amino-2-methylpropyl)-2-chloro-6-fluoro-3-methylphenol
CID 117335588
2-(2-aminopropan-2-yl)-4-chloro-3,5,6-trimethylphenol
CID 117111898
4-(2-amino-2-methylpropyl)-2-chloro-6-fluorobenzene-1,3-diol
CID 84796627
4-chloro-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol
CID 117337246
2-(2-fluoro-4,5-dimethylphenyl)propan-2-amine
CID 84768561
4-(2-aminopropan-2-yl)-2,6-difluorobenzene-1,3-diol
CID 84777103
3-(2-aminopropan-2-yl)-4-bromo-6-fluoro-2-methoxyphenol
CID 117445523
3,6-difluoro-4-methylbenzene-1,2-diol
CID 20702368

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropan-2-yl)-3-chloro-6-fluoro-4-methylphenol?
The IUPAC name of 2-(2-aminopropan-2-yl)-3-chloro-6-fluoro-4-methylphenol (CID 84785858) is 2-(2-aminopropan-2-yl)-3-chloro-6-fluoro-4-methylphenol.
What is the SMILES notation for 2-(2-aminopropan-2-yl)-3-chloro-6-fluoro-4-methylphenol?
The canonical SMILES for 2-(2-aminopropan-2-yl)-3-chloro-6-fluoro-4-methylphenol is Cc1cc(F)c(O)c(C(C)(C)N)c1Cl.
What is the InChIKey of 2-(2-aminopropan-2-yl)-3-chloro-6-fluoro-4-methylphenol?
The InChIKey is DDQHEYPVBZUVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO/c1-5-4-6(12)9(14)7(8(5)11)10(2,3)13/h4,14H,13H2,1-3H3.
What are the key properties of 2-(2-aminopropan-2-yl)-3-chloro-6-fluoro-4-methylphenol?
2-(2-aminopropan-2-yl)-3-chloro-6-fluoro-4-methylphenol has a molecular weight of 217.67 g/mol, XLogP of 2.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropan-2-yl)-3-chloro-6-fluoro-4-methylphenol is sourced from PubChem (CID 84785858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).