2-(1-aminoethyl)-5-(2-fluoro-N-methylanilino)phenol

C15H17FN2O — CID 79603983

IUPAC2-(1-aminoethyl)-5-(2-fluoro-N-methylanilino)phenol
SMILESCC(N)c1ccc(N(C)c2ccccc2F)cc1O
InChIInChI=1S/C15H17FN2O/c1-10(17)12-8-7-11(9-15(12)19)18(2)14-6-4-3-5-13(14)16/h3-10,19H,17H2,1-2H3
InChIKeyUABWKBNDSXQWJF-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.32
Rot. Bonds3

About 2-(1-aminoethyl)-5-(2-fluoro-N-methylanilino)phenol

2-(1-aminoethyl)-5-(2-fluoro-N-methylanilino)phenol (PubChem CID 79603983) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 2-(1-aminoethyl)-5-(2-fluoro-N-methylanilino)phenol.

Molecular Properties

Compound Name2-(1-aminoethyl)-5-(2-fluoro-N-methylanilino)phenol
PubChem CID79603983
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name2-(1-aminoethyl)-5-(2-fluoro-N-methylanilino)phenol
SMILESCC(N)c1ccc(N(C)c2ccccc2F)cc1O
InChIInChI=1S/C15H17FN2O/c1-10(17)12-8-7-11(9-15(12)19)18(2)14-6-4-3-5-13(14)16/h3-10,19H,17H2,1-2H3
InChIKeyUABWKBNDSXQWJF-UHFFFAOYSA-N
XLogP3.32
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(1S)-1-aminoethyl]phenyl]-2-fluoro-N-methylaniline
CID 63368954
2-[(1R)-1-aminoethyl]-N-(4-fluorophenyl)-N-methylaniline
CID 78935395
3-[(1S)-1-aminoethyl]-N-(2-fluorophenyl)-N-methylpyridin-2-amine
CID 114056087
2-(1-hydroxyethyl)-5-(N-methylanilino)phenol
CID 79603574
2-(1-aminoethyl)-5-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]phenol
CID 113475785
4-(1-aminoethyl)-3-fluoro-N,N-dimethylaniline
CID 83383940
(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
2-(1-aminoethyl)-5-[5-hydroxypentyl(methyl)amino]phenol
CID 107200479
2-[(1R)-1-aminoethyl]-4,5-difluorophenol
CID 55275252
2-[(1R)-1-aminoethyl]-4-fluoro-N-(4-fluorophenyl)-N-methylaniline
CID 78935127
2-(1-aminoethyl)-5-[propan-2-yl(propyl)amino]phenol
CID 79600602

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-5-(2-fluoro-N-methylanilino)phenol?
The IUPAC name of 2-(1-aminoethyl)-5-(2-fluoro-N-methylanilino)phenol (CID 79603983) is 2-(1-aminoethyl)-5-(2-fluoro-N-methylanilino)phenol.
What is the SMILES notation for 2-(1-aminoethyl)-5-(2-fluoro-N-methylanilino)phenol?
The canonical SMILES for 2-(1-aminoethyl)-5-(2-fluoro-N-methylanilino)phenol is CC(N)c1ccc(N(C)c2ccccc2F)cc1O.
What is the InChIKey of 2-(1-aminoethyl)-5-(2-fluoro-N-methylanilino)phenol?
The InChIKey is UABWKBNDSXQWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-10(17)12-8-7-11(9-15(12)19)18(2)14-6-4-3-5-13(14)16/h3-10,19H,17H2,1-2H3.
What are the key properties of 2-(1-aminoethyl)-5-(2-fluoro-N-methylanilino)phenol?
2-(1-aminoethyl)-5-(2-fluoro-N-methylanilino)phenol has a molecular weight of 260.31 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-5-(2-fluoro-N-methylanilino)phenol is sourced from PubChem (CID 79603983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).