6-fluoro-3-methyl-2-[2-(methylamino)ethyl]phenol

C10H14FNO — CID 84659094

IUPAC6-fluoro-3-methyl-2-[2-(methylamino)ethyl]phenol
SMILESCNCCc1c(C)ccc(F)c1O
InChIInChI=1S/C10H14FNO/c1-7-3-4-9(11)10(13)8(7)5-6-12-2/h3-4,12-13H,5-6H2,1-2H3
InChIKeySQSXRUGGOMKTKP-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.60
Rot. Bonds3

About 6-fluoro-3-methyl-2-[2-(methylamino)ethyl]phenol

6-fluoro-3-methyl-2-[2-(methylamino)ethyl]phenol (PubChem CID 84659094) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 6-fluoro-3-methyl-2-[2-(methylamino)ethyl]phenol.

Molecular Properties

Compound Name6-fluoro-3-methyl-2-[2-(methylamino)ethyl]phenol
PubChem CID84659094
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name6-fluoro-3-methyl-2-[2-(methylamino)ethyl]phenol
SMILESCNCCc1c(C)ccc(F)c1O
InChIInChI=1S/C10H14FNO/c1-7-3-4-9(11)10(13)8(7)5-6-12-2/h3-4,12-13H,5-6H2,1-2H3
InChIKeySQSXRUGGOMKTKP-UHFFFAOYSA-N
XLogP1.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-methyl-2-[2-(methylamino)ethyl]phenol?
The IUPAC name of 6-fluoro-3-methyl-2-[2-(methylamino)ethyl]phenol (CID 84659094) is 6-fluoro-3-methyl-2-[2-(methylamino)ethyl]phenol.
What is the SMILES notation for 6-fluoro-3-methyl-2-[2-(methylamino)ethyl]phenol?
The canonical SMILES for 6-fluoro-3-methyl-2-[2-(methylamino)ethyl]phenol is CNCCc1c(C)ccc(F)c1O.
What is the InChIKey of 6-fluoro-3-methyl-2-[2-(methylamino)ethyl]phenol?
The InChIKey is SQSXRUGGOMKTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-7-3-4-9(11)10(13)8(7)5-6-12-2/h3-4,12-13H,5-6H2,1-2H3.
What are the key properties of 6-fluoro-3-methyl-2-[2-(methylamino)ethyl]phenol?
6-fluoro-3-methyl-2-[2-(methylamino)ethyl]phenol has a molecular weight of 183.23 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-methyl-2-[2-(methylamino)ethyl]phenol is sourced from PubChem (CID 84659094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).