(1R)-1-[2-(3-fluoro-N-methylanilino)phenyl]ethanol

C15H16FNO — CID 55184502

IUPAC(1R)-1-[2-(3-fluoro-N-methylanilino)phenyl]ethanol
SMILESC[C@@H](O)c1ccccc1N(C)c1cccc(F)c1
InChIInChI=1S/C15H16FNO/c1-11(18)14-8-3-4-9-15(14)17(2)13-7-5-6-12(16)10-13/h3-11,18H,1-2H3/t11-/m1/s1
InChIKeyZSAHXXLCJLJODY-LLVKDONJSA-N
MW245.30 g/mol
LogP3.65
Rot. Bonds3

About (1R)-1-[2-(3-fluoro-N-methylanilino)phenyl]ethanol

(1R)-1-[2-(3-fluoro-N-methylanilino)phenyl]ethanol (PubChem CID 55184502) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is (1R)-1-[2-(3-fluoro-N-methylanilino)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-(3-fluoro-N-methylanilino)phenyl]ethanol
PubChem CID55184502
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name(1R)-1-[2-(3-fluoro-N-methylanilino)phenyl]ethanol
SMILESC[C@@H](O)c1ccccc1N(C)c1cccc(F)c1
InChIInChI=1S/C15H16FNO/c1-11(18)14-8-3-4-9-15(14)17(2)13-7-5-6-12(16)10-13/h3-11,18H,1-2H3/t11-/m1/s1
InChIKeyZSAHXXLCJLJODY-LLVKDONJSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminopropyl)-N-(3-fluorophenyl)-N-methylaniline
CID 112678084
1-[3-chloro-4-(3-fluoro-N-methylanilino)phenyl]ethanol
CID 55130733
(1R)-1-[3-chloro-4-(3-fluoro-N-methylanilino)phenyl]ethanol
CID 78940935
2-[1-(3-fluoro-N-methylanilino)ethyl]phenol
CID 82978399
1-[5-(3-fluoro-N-methylanilino)-2-pyridinyl]ethanol
CID 83131802
(1S)-1-[4-(3-fluoro-N-methylanilino)-3-nitrophenyl]ethanol
CID 78938454
(1R)-1-[4-(3-fluoro-N-methylanilino)-3-nitrophenyl]ethanol
CID 63371812
(1S)-1-[2-(N-ethyl-4-fluoroanilino)phenyl]ethanol
CID 78940914
(1S)-1-[5-fluoro-2-(4-methoxy-N-methylanilino)phenyl]ethanol
CID 78940852
2-[(1R)-1-aminoethyl]-N-(4-fluorophenyl)-N-methylaniline
CID 78935395
2-chloro-6-(3-fluoro-N-methylanilino)benzoic acid
CID 55091087
(1S)-1-[2-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanol
CID 63371150

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(3-fluoro-N-methylanilino)phenyl]ethanol?
The IUPAC name of (1R)-1-[2-(3-fluoro-N-methylanilino)phenyl]ethanol (CID 55184502) is (1R)-1-[2-(3-fluoro-N-methylanilino)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-(3-fluoro-N-methylanilino)phenyl]ethanol?
The canonical SMILES for (1R)-1-[2-(3-fluoro-N-methylanilino)phenyl]ethanol is C[C@@H](O)c1ccccc1N(C)c1cccc(F)c1.
What is the InChIKey of (1R)-1-[2-(3-fluoro-N-methylanilino)phenyl]ethanol?
The InChIKey is ZSAHXXLCJLJODY-LLVKDONJSA-N. The full InChI is InChI=1S/C15H16FNO/c1-11(18)14-8-3-4-9-15(14)17(2)13-7-5-6-12(16)10-13/h3-11,18H,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-[2-(3-fluoro-N-methylanilino)phenyl]ethanol?
(1R)-1-[2-(3-fluoro-N-methylanilino)phenyl]ethanol has a molecular weight of 245.30 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(3-fluoro-N-methylanilino)phenyl]ethanol is sourced from PubChem (CID 55184502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).