2-(2-amino-2-methylpropyl)-4-fluoro-5-methylphenol

C11H16FNO — CID 117287292

IUPAC2-(2-amino-2-methylpropyl)-4-fluoro-5-methylphenol
SMILESCc1cc(O)c(CC(C)(C)N)cc1F
InChIInChI=1S/C11H16FNO/c1-7-4-10(14)8(5-9(7)12)6-11(2,3)13/h4-5,14H,6,13H2,1-3H3
InChIKeyXASNVEDWXZBIPN-UHFFFAOYSA-N
MW197.25 g/mol
LogP2.12
Rot. Bonds2

About 2-(2-amino-2-methylpropyl)-4-fluoro-5-methylphenol

2-(2-amino-2-methylpropyl)-4-fluoro-5-methylphenol (PubChem CID 117287292) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 2-(2-amino-2-methylpropyl)-4-fluoro-5-methylphenol.

Molecular Properties

Compound Name2-(2-amino-2-methylpropyl)-4-fluoro-5-methylphenol
PubChem CID117287292
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name2-(2-amino-2-methylpropyl)-4-fluoro-5-methylphenol
SMILESCc1cc(O)c(CC(C)(C)N)cc1F
InChIInChI=1S/C11H16FNO/c1-7-4-10(14)8(5-9(7)12)6-11(2,3)13/h4-5,14H,6,13H2,1-3H3
InChIKeyXASNVEDWXZBIPN-UHFFFAOYSA-N
XLogP2.12
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(2-amino-2-methylpropyl)-4-fluoro-5-methylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-amino-2-methylpropyl)-2-bromo-5-methylphenol
CID 117398550
4-(2-amino-2-methylpropyl)-2-chloro-6-fluorobenzene-1,3-diol
CID 84796627
6-(2-amino-2-methylpropyl)-2-bromo-3,4-difluorophenol
CID 84811709
2-methyl-1-(2,3,5-trifluorophenyl)propan-2-amine
CID 117112050
5-(2-amino-2-methylpropyl)-2-chloro-6-fluoro-3-methylphenol
CID 117335588
3-(2-amino-2-methylpropyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 117313360
4-fluoro-2,5-dimethylphenol
CID 22627623
1-(4-fluoro-2-methylphenyl)-2-methylpropan-2-amine
CID 22063499
1-(3-fluoro-4-methylphenyl)-2-methylpropan-2-amine
CID 23109614
2-(2-amino-2-methylpropyl)-4-tert-butylphenol
CID 117317076
2-methyl-1-(2,4,5-trimethylphenyl)propan-2-amine
CID 82281489
2-(2-amino-2-methylpropyl)-4,5-difluoro-N,N-dimethylaniline
CID 117112029

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-methylpropyl)-4-fluoro-5-methylphenol?
The IUPAC name of 2-(2-amino-2-methylpropyl)-4-fluoro-5-methylphenol (CID 117287292) is 2-(2-amino-2-methylpropyl)-4-fluoro-5-methylphenol.
What is the SMILES notation for 2-(2-amino-2-methylpropyl)-4-fluoro-5-methylphenol?
The canonical SMILES for 2-(2-amino-2-methylpropyl)-4-fluoro-5-methylphenol is Cc1cc(O)c(CC(C)(C)N)cc1F.
What is the InChIKey of 2-(2-amino-2-methylpropyl)-4-fluoro-5-methylphenol?
The InChIKey is XASNVEDWXZBIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-7-4-10(14)8(5-9(7)12)6-11(2,3)13/h4-5,14H,6,13H2,1-3H3.
What are the key properties of 2-(2-amino-2-methylpropyl)-4-fluoro-5-methylphenol?
2-(2-amino-2-methylpropyl)-4-fluoro-5-methylphenol has a molecular weight of 197.25 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-methylpropyl)-4-fluoro-5-methylphenol is sourced from PubChem (CID 117287292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).