2-(3-amino-5-fluorophenyl)-2-(methylamino)ethanol

C9H13FN2O — CID 130000481

IUPAC2-(3-amino-5-fluorophenyl)-2-(methylamino)ethanol
SMILESCNC(CO)c1cc(N)cc(F)c1
InChIInChI=1S/C9H13FN2O/c1-12-9(5-13)6-2-7(10)4-8(11)3-6/h2-4,9,12-13H,5,11H2,1H3
InChIKeySUAILWWQCLATJP-UHFFFAOYSA-N
MW184.21 g/mol
LogP0.66
Rot. Bonds3

About 2-(3-amino-5-fluorophenyl)-2-(methylamino)ethanol

2-(3-amino-5-fluorophenyl)-2-(methylamino)ethanol (PubChem CID 130000481) has the molecular formula C9H13FN2O and a molecular weight of 184.21 g/mol. Its IUPAC name is 2-(3-amino-5-fluorophenyl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name2-(3-amino-5-fluorophenyl)-2-(methylamino)ethanol
PubChem CID130000481
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC Name2-(3-amino-5-fluorophenyl)-2-(methylamino)ethanol
SMILESCNC(CO)c1cc(N)cc(F)c1
InChIInChI=1S/C9H13FN2O/c1-12-9(5-13)6-2-7(10)4-8(11)3-6/h2-4,9,12-13H,5,11H2,1H3
InChIKeySUAILWWQCLATJP-UHFFFAOYSA-N
XLogP0.66
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-amino-5-fluorophenyl)-2-(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

5-[(1S)-2-hydroxy-1-(methylamino)ethyl]benzene-1,3-diol
CID 55276021
5-[(1S)-2-hydroxy-1-(methylamino)ethyl]benzene-1,2,3-triol
CID 55276777
1-(3,5-difluorophenyl)-3-ethyl-N-methylpentan-1-amine
CID 82922686
methyl 3-(3,5-difluorophenyl)-3-(methylamino)propanoate
CID 106534445
3-fluoro-5-pentan-2-ylaniline
CID 135267020
2-(3,5-difluorophenyl)-2-(2-methoxyethylamino)ethanol
CID 106531859
1-(3-fluoro-5-methylphenyl)-N-methyl-2-methylsulfonylethanamine
CID 105016325
1-(3,5-difluorophenyl)propane-1,2,3-triol
CID 170817451
1-(3-amino-5-fluorophenyl)-4-bromobutane-1,2-diol
CID 171891706
2-(4-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanol
CID 116859297
(2S)-2-(3-bromo-5-methylphenyl)-2-(methylamino)ethanol
CID 130641805
1-(3,5-difluorophenyl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 63192091

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-fluorophenyl)-2-(methylamino)ethanol?
The IUPAC name of 2-(3-amino-5-fluorophenyl)-2-(methylamino)ethanol (CID 130000481) is 2-(3-amino-5-fluorophenyl)-2-(methylamino)ethanol.
What is the SMILES notation for 2-(3-amino-5-fluorophenyl)-2-(methylamino)ethanol?
The canonical SMILES for 2-(3-amino-5-fluorophenyl)-2-(methylamino)ethanol is CNC(CO)c1cc(N)cc(F)c1.
What is the InChIKey of 2-(3-amino-5-fluorophenyl)-2-(methylamino)ethanol?
The InChIKey is SUAILWWQCLATJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O/c1-12-9(5-13)6-2-7(10)4-8(11)3-6/h2-4,9,12-13H,5,11H2,1H3.
What are the key properties of 2-(3-amino-5-fluorophenyl)-2-(methylamino)ethanol?
2-(3-amino-5-fluorophenyl)-2-(methylamino)ethanol has a molecular weight of 184.21 g/mol, XLogP of 0.66, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-5-fluorophenyl)-2-(methylamino)ethanol is sourced from PubChem (CID 130000481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).