4-[2-fluoro-5-[1-(methylamino)ethyl]phenyl]phenol

C15H16FNO — CID 82540521

IUPAC4-[2-fluoro-5-[1-(methylamino)ethyl]phenyl]phenol
SMILESCNC(C)c1ccc(F)c(-c2ccc(O)cc2)c1
InChIInChI=1S/C15H16FNO/c1-10(17-2)12-5-8-15(16)14(9-12)11-3-6-13(18)7-4-11/h3-10,17-18H,1-2H3
InChIKeyKWQRVRHBQDJAMR-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.48
Rot. Bonds3

About 4-[2-fluoro-5-[1-(methylamino)ethyl]phenyl]phenol

4-[2-fluoro-5-[1-(methylamino)ethyl]phenyl]phenol (PubChem CID 82540521) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is 4-[2-fluoro-5-[1-(methylamino)ethyl]phenyl]phenol.

Molecular Properties

Compound Name4-[2-fluoro-5-[1-(methylamino)ethyl]phenyl]phenol
PubChem CID82540521
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name4-[2-fluoro-5-[1-(methylamino)ethyl]phenyl]phenol
SMILESCNC(C)c1ccc(F)c(-c2ccc(O)cc2)c1
InChIInChI=1S/C15H16FNO/c1-10(17-2)12-5-8-15(16)14(9-12)11-3-6-13(18)7-4-11/h3-10,17-18H,1-2H3
InChIKeyKWQRVRHBQDJAMR-UHFFFAOYSA-N
XLogP3.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-5-[1-(methylamino)ethyl]phenyl]phenol?
The IUPAC name of 4-[2-fluoro-5-[1-(methylamino)ethyl]phenyl]phenol (CID 82540521) is 4-[2-fluoro-5-[1-(methylamino)ethyl]phenyl]phenol.
What is the SMILES notation for 4-[2-fluoro-5-[1-(methylamino)ethyl]phenyl]phenol?
The canonical SMILES for 4-[2-fluoro-5-[1-(methylamino)ethyl]phenyl]phenol is CNC(C)c1ccc(F)c(-c2ccc(O)cc2)c1.
What is the InChIKey of 4-[2-fluoro-5-[1-(methylamino)ethyl]phenyl]phenol?
The InChIKey is KWQRVRHBQDJAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-10(17-2)12-5-8-15(16)14(9-12)11-3-6-13(18)7-4-11/h3-10,17-18H,1-2H3.
What are the key properties of 4-[2-fluoro-5-[1-(methylamino)ethyl]phenyl]phenol?
4-[2-fluoro-5-[1-(methylamino)ethyl]phenyl]phenol has a molecular weight of 245.30 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-5-[1-(methylamino)ethyl]phenyl]phenol is sourced from PubChem (CID 82540521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).