4-(1-amino-4-methylpentan-3-yl)-2-fluoro-5-methylphenol

C13H20FNO — CID 84790339

IUPAC4-(1-amino-4-methylpentan-3-yl)-2-fluoro-5-methylphenol
SMILESCc1cc(O)c(F)cc1C(CCN)C(C)C
InChIInChI=1S/C13H20FNO/c1-8(2)10(4-5-15)11-7-12(14)13(16)6-9(11)3/h6-8,10,16H,4-5,15H2,1-3H3
InChIKeyAXDHWTPDNUWMNN-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.93
Rot. Bonds4

About 4-(1-amino-4-methylpentan-3-yl)-2-fluoro-5-methylphenol

4-(1-amino-4-methylpentan-3-yl)-2-fluoro-5-methylphenol (PubChem CID 84790339) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 4-(1-amino-4-methylpentan-3-yl)-2-fluoro-5-methylphenol.

Molecular Properties

Compound Name4-(1-amino-4-methylpentan-3-yl)-2-fluoro-5-methylphenol
PubChem CID84790339
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name4-(1-amino-4-methylpentan-3-yl)-2-fluoro-5-methylphenol
SMILESCc1cc(O)c(F)cc1C(CCN)C(C)C
InChIInChI=1S/C13H20FNO/c1-8(2)10(4-5-15)11-7-12(14)13(16)6-9(11)3/h6-8,10,16H,4-5,15H2,1-3H3
InChIKeyAXDHWTPDNUWMNN-UHFFFAOYSA-N
XLogP2.93
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-amino-1-hydroxyethyl)-2-fluoro-5-methylphenol
CID 84769635
4-(1-amino-2-hydroxyethyl)-2-fluoro-5-methylphenol
CID 84769631
2-(1-amino-4-methylpentan-3-yl)-3-fluorobenzene-1,4-diol
CID 84791489
3-(3-chloro-4-fluoro-2-methylphenyl)-4-methylpentan-1-amine
CID 84802311
3-amino-3-(5-fluoro-4-hydroxy-2-methylphenyl)propanoic acid
CID 84782589
3-(3-bromo-4-fluoro-2-methylphenyl)-4-methylpentan-1-amine
CID 84814432
3-(2-fluorophenyl)-4-methylpentan-1-amine
CID 82076064
5-(1-amino-3-methylbutan-2-yl)-2-fluorophenol
CID 83699285
2-(1-amino-3-methylbutan-2-yl)-6-fluoro-4-methylphenol
CID 83885476
5-(1-amino-4-methylpentan-3-yl)-2-bromophenol
CID 84809703
3-(4-fluoro-2-methyl-5-propan-2-ylphenyl)butan-1-amine
CID 117320871
4-(4-aminobutan-2-yl)-2,3,5-trimethylphenol
CID 115113566

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-4-methylpentan-3-yl)-2-fluoro-5-methylphenol?
The IUPAC name of 4-(1-amino-4-methylpentan-3-yl)-2-fluoro-5-methylphenol (CID 84790339) is 4-(1-amino-4-methylpentan-3-yl)-2-fluoro-5-methylphenol.
What is the SMILES notation for 4-(1-amino-4-methylpentan-3-yl)-2-fluoro-5-methylphenol?
The canonical SMILES for 4-(1-amino-4-methylpentan-3-yl)-2-fluoro-5-methylphenol is Cc1cc(O)c(F)cc1C(CCN)C(C)C.
What is the InChIKey of 4-(1-amino-4-methylpentan-3-yl)-2-fluoro-5-methylphenol?
The InChIKey is AXDHWTPDNUWMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-8(2)10(4-5-15)11-7-12(14)13(16)6-9(11)3/h6-8,10,16H,4-5,15H2,1-3H3.
What are the key properties of 4-(1-amino-4-methylpentan-3-yl)-2-fluoro-5-methylphenol?
4-(1-amino-4-methylpentan-3-yl)-2-fluoro-5-methylphenol has a molecular weight of 225.31 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-4-methylpentan-3-yl)-2-fluoro-5-methylphenol is sourced from PubChem (CID 84790339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).