4-fluoro-2-methyl-6-[3-(methylamino)prop-1-enyl]phenol

C11H14FNO — CID 169474736

IUPAC4-fluoro-2-methyl-6-[3-(methylamino)prop-1-enyl]phenol
SMILESCNCC=Cc1cc(F)cc(C)c1O
InChIInChI=1S/C11H14FNO/c1-8-6-10(12)7-9(11(8)14)4-3-5-13-2/h3-4,6-7,13-14H,5H2,1-2H3
InChIKeyPEGMNJJRDXLOPL-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.07
Rot. Bonds3

About 4-fluoro-2-methyl-6-[3-(methylamino)prop-1-enyl]phenol

4-fluoro-2-methyl-6-[3-(methylamino)prop-1-enyl]phenol (PubChem CID 169474736) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 4-fluoro-2-methyl-6-[3-(methylamino)prop-1-enyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-methyl-6-[3-(methylamino)prop-1-enyl]phenol
PubChem CID169474736
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name4-fluoro-2-methyl-6-[3-(methylamino)prop-1-enyl]phenol
SMILESCNCC=Cc1cc(F)cc(C)c1O
InChIInChI=1S/C11H14FNO/c1-8-6-10(12)7-9(11(8)14)4-3-5-13-2/h3-4,6-7,13-14H,5H2,1-2H3
InChIKeyPEGMNJJRDXLOPL-UHFFFAOYSA-N
XLogP2.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-6-[3-(methylamino)prop-1-enyl]phenol?
The IUPAC name of 4-fluoro-2-methyl-6-[3-(methylamino)prop-1-enyl]phenol (CID 169474736) is 4-fluoro-2-methyl-6-[3-(methylamino)prop-1-enyl]phenol.
What is the SMILES notation for 4-fluoro-2-methyl-6-[3-(methylamino)prop-1-enyl]phenol?
The canonical SMILES for 4-fluoro-2-methyl-6-[3-(methylamino)prop-1-enyl]phenol is CNCC=Cc1cc(F)cc(C)c1O.
What is the InChIKey of 4-fluoro-2-methyl-6-[3-(methylamino)prop-1-enyl]phenol?
The InChIKey is PEGMNJJRDXLOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-8-6-10(12)7-9(11(8)14)4-3-5-13-2/h3-4,6-7,13-14H,5H2,1-2H3.
What are the key properties of 4-fluoro-2-methyl-6-[3-(methylamino)prop-1-enyl]phenol?
4-fluoro-2-methyl-6-[3-(methylamino)prop-1-enyl]phenol has a molecular weight of 195.24 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-6-[3-(methylamino)prop-1-enyl]phenol is sourced from PubChem (CID 169474736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).