1-(2-aminophenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanol

C16H19FN2O — CID 62266116

IUPAC1-(2-aminophenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanol
SMILESCN(Cc1ccc(F)cc1)CC(O)c1ccccc1N
InChIInChI=1S/C16H19FN2O/c1-19(10-12-6-8-13(17)9-7-12)11-16(20)14-4-2-3-5-15(14)18/h2-9,16,20H,10-11,18H2,1H3
InChIKeyGBZIZONUJARJIC-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.57
Rot. Bonds5

About 1-(2-aminophenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanol

1-(2-aminophenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanol (PubChem CID 62266116) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 1-(2-aminophenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanol.

Molecular Properties

Compound Name1-(2-aminophenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanol
PubChem CID62266116
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name1-(2-aminophenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanol
SMILESCN(Cc1ccc(F)cc1)CC(O)c1ccccc1N
InChIInChI=1S/C16H19FN2O/c1-19(10-12-6-8-13(17)9-7-12)11-16(20)14-4-2-3-5-15(14)18/h2-9,16,20H,10-11,18H2,1H3
InChIKeyGBZIZONUJARJIC-UHFFFAOYSA-N
XLogP2.57
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(2-aminophenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(aminomethyl)phenyl]-2-[(4-fluorophenyl)methyl-methylamino]ethanol
CID 43575790
1-chloro-3-[(4-fluorophenyl)methyl-methylamino]propan-2-ol
CID 112561328
1-(2-aminophenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]ethanol
CID 81058667
(1R)-1-[2-[(4-fluorophenyl)methyl-methylamino]phenyl]propan-1-ol
CID 103959822
1-(2-aminophenyl)-2-(4-fluorophenoxy)ethanol
CID 62267016
2-[[2-(2-aminophenyl)-2-hydroxyethyl]-methylamino]-N-ethylacetamide
CID 62265975
1-(4-fluorophenyl)-N'-[(4-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 107519967
4-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]-methylamino]methyl]benzonitrile
CID 110897867
2-(bromomethyl)-N-[(4-fluorophenyl)methyl]-N,3,3-trimethylbutan-1-amine
CID 65015939
N'-benzyl-1-(4-fluorophenyl)-N'-methylethane-1,2-diamine
CID 18070991
N'-[(4-fluorophenyl)methyl]-N'-methylmethanediamine
CID 115225832
2-[[(4-fluorophenyl)methyl-propan-2-ylamino]methyl]aniline
CID 43460424

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanol?
The IUPAC name of 1-(2-aminophenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanol (CID 62266116) is 1-(2-aminophenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanol.
What is the SMILES notation for 1-(2-aminophenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanol?
The canonical SMILES for 1-(2-aminophenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanol is CN(Cc1ccc(F)cc1)CC(O)c1ccccc1N.
What is the InChIKey of 1-(2-aminophenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanol?
The InChIKey is GBZIZONUJARJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-19(10-12-6-8-13(17)9-7-12)11-16(20)14-4-2-3-5-15(14)18/h2-9,16,20H,10-11,18H2,1H3.
What are the key properties of 1-(2-aminophenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanol?
1-(2-aminophenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanol has a molecular weight of 274.34 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanol is sourced from PubChem (CID 62266116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).