4-[1-(2-fluoro-N-methylanilino)ethyl]phenol

C15H16FNO — CID 82978305

IUPAC4-[1-(2-fluoro-N-methylanilino)ethyl]phenol
SMILESCC(c1ccc(O)cc1)N(C)c1ccccc1F
InChIInChI=1S/C15H16FNO/c1-11(12-7-9-13(18)10-8-12)17(2)15-6-4-3-5-14(15)16/h3-11,18H,1-2H3
InChIKeyPWCYSEANFWAXAC-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.73
Rot. Bonds3

About 4-[1-(2-fluoro-N-methylanilino)ethyl]phenol

4-[1-(2-fluoro-N-methylanilino)ethyl]phenol (PubChem CID 82978305) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is 4-[1-(2-fluoro-N-methylanilino)ethyl]phenol.

Molecular Properties

Compound Name4-[1-(2-fluoro-N-methylanilino)ethyl]phenol
PubChem CID82978305
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name4-[1-(2-fluoro-N-methylanilino)ethyl]phenol
SMILESCC(c1ccc(O)cc1)N(C)c1ccccc1F
InChIInChI=1S/C15H16FNO/c1-11(12-7-9-13(18)10-8-12)17(2)15-6-4-3-5-14(15)16/h3-11,18H,1-2H3
InChIKeyPWCYSEANFWAXAC-UHFFFAOYSA-N
XLogP3.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(dimethylamino)ethyl]phenol
CID 3029886
2-(1-aminoethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylaniline
CID 62978144
3-[1-(N-ethyl-2-fluoroanilino)ethyl]phenol
CID 82982466
2-fluoro-N,N-di(propan-2-yl)aniline
CID 67920255
N-[4-[(1S)-1-aminoethyl]phenyl]-2-fluoro-N-methylaniline
CID 63368954
2-[1-(4-chlorophenyl)ethyl-methylamino]benzenecarboximidamide
CID 62978295
(1S)-1-[3-bromo-4-[1-(2-fluorophenyl)ethyl-methylamino]phenyl]ethanol
CID 78938511
1-[3-chloro-4-[1-(2-fluorophenyl)ethyl-methylamino]phenyl]ethanol
CID 62980067
4-fluoro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61044668
bis(4-[3-(4-hydroxyphenyl)butan-2-yl]phenol);phenol
CID 161418686
(1R)-1-[2-fluoro-6-(2-fluoro-N-methylanilino)phenyl]ethanol
CID 78940926
(1S)-1-[2-fluoro-6-(2-fluoro-N-methylanilino)phenyl]ethanol
CID 55184318

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-fluoro-N-methylanilino)ethyl]phenol?
The IUPAC name of 4-[1-(2-fluoro-N-methylanilino)ethyl]phenol (CID 82978305) is 4-[1-(2-fluoro-N-methylanilino)ethyl]phenol.
What is the SMILES notation for 4-[1-(2-fluoro-N-methylanilino)ethyl]phenol?
The canonical SMILES for 4-[1-(2-fluoro-N-methylanilino)ethyl]phenol is CC(c1ccc(O)cc1)N(C)c1ccccc1F.
What is the InChIKey of 4-[1-(2-fluoro-N-methylanilino)ethyl]phenol?
The InChIKey is PWCYSEANFWAXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-11(12-7-9-13(18)10-8-12)17(2)15-6-4-3-5-14(15)16/h3-11,18H,1-2H3.
What are the key properties of 4-[1-(2-fluoro-N-methylanilino)ethyl]phenol?
4-[1-(2-fluoro-N-methylanilino)ethyl]phenol has a molecular weight of 245.30 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-fluoro-N-methylanilino)ethyl]phenol is sourced from PubChem (CID 82978305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).