5-(2-amino-2-methylpropyl)-2-chloro-6-fluoro-3-methylphenol

C11H15ClFNO — CID 117335588

IUPAC5-(2-amino-2-methylpropyl)-2-chloro-6-fluoro-3-methylphenol
SMILESCc1cc(CC(C)(C)N)c(F)c(O)c1Cl
InChIInChI=1S/C11H15ClFNO/c1-6-4-7(5-11(2,3)14)9(13)10(15)8(6)12/h4,15H,5,14H2,1-3H3
InChIKeyLVJVZIMHJUHPBE-UHFFFAOYSA-N
MW231.70 g/mol
LogP2.77
Rot. Bonds2

About 5-(2-amino-2-methylpropyl)-2-chloro-6-fluoro-3-methylphenol

5-(2-amino-2-methylpropyl)-2-chloro-6-fluoro-3-methylphenol (PubChem CID 117335588) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is 5-(2-amino-2-methylpropyl)-2-chloro-6-fluoro-3-methylphenol.

Molecular Properties

Compound Name5-(2-amino-2-methylpropyl)-2-chloro-6-fluoro-3-methylphenol
PubChem CID117335588
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name5-(2-amino-2-methylpropyl)-2-chloro-6-fluoro-3-methylphenol
SMILESCc1cc(CC(C)(C)N)c(F)c(O)c1Cl
InChIInChI=1S/C11H15ClFNO/c1-6-4-7(5-11(2,3)14)9(13)10(15)8(6)12/h4,15H,5,14H2,1-3H3
InChIKeyLVJVZIMHJUHPBE-UHFFFAOYSA-N
XLogP2.77
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-amino-2-methylpropyl)-2-chloro-6-fluorobenzene-1,3-diol
CID 84796627
5-(2-aminooxyethyl)-2-chloro-6-fluoro-3-methylphenol
CID 117313560
2-chloro-6-fluoro-3-methyl-5-(pyrrolidin-2-ylmethyl)phenol
CID 117361291
2-(2-amino-2-methylpropyl)-4-fluoro-5-methylphenol
CID 117287292
2-methyl-1-(2,4,5-trimethylphenyl)propan-2-amine
CID 82281489
1-(2-chloro-3,5-difluorophenyl)-2-methylpropan-2-amine
CID 117313615
6-(2-amino-2-methylpropyl)-2-bromo-3,4-difluorophenol
CID 84811709
2-methyl-1-(2,3,5-trifluorophenyl)propan-2-amine
CID 117112050
4-(2-amino-2-methylpropyl)-2-methoxy-3,6-dimethylphenol
CID 117320492
6-(2-amino-2-methylpropyl)-2-methoxy-3,4-dimethylphenol
CID 117320493
2-(2-aminopropan-2-yl)-3-chloro-6-fluoro-4-methylphenol
CID 84785858
1-(2-fluoro-3,6-dimethylphenyl)-2-methylpropan-2-amine
CID 84773717

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-2-methylpropyl)-2-chloro-6-fluoro-3-methylphenol?
The IUPAC name of 5-(2-amino-2-methylpropyl)-2-chloro-6-fluoro-3-methylphenol (CID 117335588) is 5-(2-amino-2-methylpropyl)-2-chloro-6-fluoro-3-methylphenol.
What is the SMILES notation for 5-(2-amino-2-methylpropyl)-2-chloro-6-fluoro-3-methylphenol?
The canonical SMILES for 5-(2-amino-2-methylpropyl)-2-chloro-6-fluoro-3-methylphenol is Cc1cc(CC(C)(C)N)c(F)c(O)c1Cl.
What is the InChIKey of 5-(2-amino-2-methylpropyl)-2-chloro-6-fluoro-3-methylphenol?
The InChIKey is LVJVZIMHJUHPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO/c1-6-4-7(5-11(2,3)14)9(13)10(15)8(6)12/h4,15H,5,14H2,1-3H3.
What are the key properties of 5-(2-amino-2-methylpropyl)-2-chloro-6-fluoro-3-methylphenol?
5-(2-amino-2-methylpropyl)-2-chloro-6-fluoro-3-methylphenol has a molecular weight of 231.70 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-2-methylpropyl)-2-chloro-6-fluoro-3-methylphenol is sourced from PubChem (CID 117335588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).