4-(2-amino-3-fluoro-2-methylpropyl)-2-methylphenol

C11H16FNO — CID 163467452

IUPAC4-(2-amino-3-fluoro-2-methylpropyl)-2-methylphenol
SMILESCc1cc(CC(C)(N)CF)ccc1O
InChIInChI=1S/C11H16FNO/c1-8-5-9(3-4-10(8)14)6-11(2,13)7-12/h3-5,14H,6-7,13H2,1-2H3
InChIKeyDUQIHLHWJADOAC-UHFFFAOYSA-N
MW197.25 g/mol
LogP1.93
Rot. Bonds3

About 4-(2-amino-3-fluoro-2-methylpropyl)-2-methylphenol

4-(2-amino-3-fluoro-2-methylpropyl)-2-methylphenol (PubChem CID 163467452) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 4-(2-amino-3-fluoro-2-methylpropyl)-2-methylphenol.

Molecular Properties

Compound Name4-(2-amino-3-fluoro-2-methylpropyl)-2-methylphenol
PubChem CID163467452
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name4-(2-amino-3-fluoro-2-methylpropyl)-2-methylphenol
SMILESCc1cc(CC(C)(N)CF)ccc1O
InChIInChI=1S/C11H16FNO/c1-8-5-9(3-4-10(8)14)6-11(2,13)7-12/h3-5,14H,6-7,13H2,1-2H3
InChIKeyDUQIHLHWJADOAC-UHFFFAOYSA-N
XLogP1.93
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine
CID 114833802
4-butyl-2-methylphenol
CID 10964856
4-(aminooxymethyl)-2-methylphenol
CID 117276023
2-amino-3-(3-(18F)fluoro-4-hydroxyphenyl)-2-methylpropanoic acid
CID 176816292
1-(3-fluoro-4-methylphenyl)-2-methylpropan-2-amine
CID 23109614
4-[(2R)-2-aminobutan-2-yl]-2-methylphenol
CID 131037914
1-(4-hydroxy-3-methylphenyl)heptane-3,4-diol
CID 112717303
4-(2-amino-2-methylpropyl)-2-chlorophenol
CID 12826919
2-methyl-4-octadecylphenol
CID 3022311
CID 140580608
CID 140580608
4-[(2R,3R)-3-[(4-hydroxy-3-methylphenyl)methyl]-2-propylhexyl]-2-methylphenol
CID 121339044
2-methyl-4-pent-3-ynylphenol
CID 83923007

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-3-fluoro-2-methylpropyl)-2-methylphenol?
The IUPAC name of 4-(2-amino-3-fluoro-2-methylpropyl)-2-methylphenol (CID 163467452) is 4-(2-amino-3-fluoro-2-methylpropyl)-2-methylphenol.
What is the SMILES notation for 4-(2-amino-3-fluoro-2-methylpropyl)-2-methylphenol?
The canonical SMILES for 4-(2-amino-3-fluoro-2-methylpropyl)-2-methylphenol is Cc1cc(CC(C)(N)CF)ccc1O.
What is the InChIKey of 4-(2-amino-3-fluoro-2-methylpropyl)-2-methylphenol?
The InChIKey is DUQIHLHWJADOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-8-5-9(3-4-10(8)14)6-11(2,13)7-12/h3-5,14H,6-7,13H2,1-2H3.
What are the key properties of 4-(2-amino-3-fluoro-2-methylpropyl)-2-methylphenol?
4-(2-amino-3-fluoro-2-methylpropyl)-2-methylphenol has a molecular weight of 197.25 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-3-fluoro-2-methylpropyl)-2-methylphenol is sourced from PubChem (CID 163467452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).