2-[N-ethyl-2-fluoro-4-(methylaminomethyl)anilino]ethanol

C12H19FN2O — CID 60980506

IUPAC2-[N-ethyl-2-fluoro-4-(methylaminomethyl)anilino]ethanol
SMILESCCN(CCO)c1ccc(CNC)cc1F
InChIInChI=1S/C12H19FN2O/c1-3-15(6-7-16)12-5-4-10(9-14-2)8-11(12)13/h4-5,8,14,16H,3,6-7,9H2,1-2H3
InChIKeySIDOATGEFSTMKG-UHFFFAOYSA-N
MW226.29 g/mol
LogP1.36
Rot. Bonds6

About 2-[N-ethyl-2-fluoro-4-(methylaminomethyl)anilino]ethanol

2-[N-ethyl-2-fluoro-4-(methylaminomethyl)anilino]ethanol (PubChem CID 60980506) has the molecular formula C12H19FN2O and a molecular weight of 226.29 g/mol. Its IUPAC name is 2-[N-ethyl-2-fluoro-4-(methylaminomethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[N-ethyl-2-fluoro-4-(methylaminomethyl)anilino]ethanol
PubChem CID60980506
Molecular FormulaC12H19FN2O
Molecular Weight226.29 g/mol
Exact Mass226.15
IUPAC Name2-[N-ethyl-2-fluoro-4-(methylaminomethyl)anilino]ethanol
SMILESCCN(CCO)c1ccc(CNC)cc1F
InChIInChI=1S/C12H19FN2O/c1-3-15(6-7-16)12-5-4-10(9-14-2)8-11(12)13/h4-5,8,14,16H,3,6-7,9H2,1-2H3
InChIKeySIDOATGEFSTMKG-UHFFFAOYSA-N
XLogP1.36
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze 2-[N-ethyl-2-fluoro-4-(methylaminomethyl)anilino]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

2-[N-ethyl-2-fluoro-4-(hydroxymethyl)anilino]ethanol
CID 60981186
2-[4-(aminomethyl)-N-ethyl-2-fluoroanilino]ethanol
CID 60979832
2-[N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol
CID 63058478
N-ethyl-4-(ethylaminomethyl)-2-fluoro-N-propylaniline
CID 43281781
2-[N-cyclopropyl-2-fluoro-4-(methylaminomethyl)anilino]ethanol
CID 54995402
3-[[4-(diethylamino)-3-fluorophenyl]methylamino]-3-methylbutan-1-ol
CID 111469072
2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-propylanilino]ethanol
CID 61424894
3-[[3-[ethyl(2-hydroxyethyl)amino]-4-fluorophenyl]methylamino]propan-1-ol
CID 84753642
N-butyl-4-[(tert-butylamino)methyl]-N-ethyl-2-fluoroaniline
CID 63550946
1-[[4-(diethylamino)-3-fluorophenyl]methylamino]propan-2-ol
CID 111440118
N-ethyl-4-(ethylaminomethyl)-2-fluoro-N-(2-methylpropyl)aniline
CID 43281990
N-benzyl-N-ethyl-4-(ethylaminomethyl)-2-fluoroaniline
CID 43281516

Frequently Asked Questions

What is the IUPAC name of 2-[N-ethyl-2-fluoro-4-(methylaminomethyl)anilino]ethanol?
The IUPAC name of 2-[N-ethyl-2-fluoro-4-(methylaminomethyl)anilino]ethanol (CID 60980506) is 2-[N-ethyl-2-fluoro-4-(methylaminomethyl)anilino]ethanol.
What is the SMILES notation for 2-[N-ethyl-2-fluoro-4-(methylaminomethyl)anilino]ethanol?
The canonical SMILES for 2-[N-ethyl-2-fluoro-4-(methylaminomethyl)anilino]ethanol is CCN(CCO)c1ccc(CNC)cc1F.
What is the InChIKey of 2-[N-ethyl-2-fluoro-4-(methylaminomethyl)anilino]ethanol?
The InChIKey is SIDOATGEFSTMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O/c1-3-15(6-7-16)12-5-4-10(9-14-2)8-11(12)13/h4-5,8,14,16H,3,6-7,9H2,1-2H3.
What are the key properties of 2-[N-ethyl-2-fluoro-4-(methylaminomethyl)anilino]ethanol?
2-[N-ethyl-2-fluoro-4-(methylaminomethyl)anilino]ethanol has a molecular weight of 226.29 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-ethyl-2-fluoro-4-(methylaminomethyl)anilino]ethanol is sourced from PubChem (CID 60980506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).