4-(N-ethyl-2-fluoroanilino)-2-(methylamino)butan-1-ol

C13H21FN2O — CID 64791728

IUPAC4-(N-ethyl-2-fluoroanilino)-2-(methylamino)butan-1-ol
SMILESCCN(CCC(CO)NC)c1ccccc1F
InChIInChI=1S/C13H21FN2O/c1-3-16(9-8-11(10-17)15-2)13-7-5-4-6-12(13)14/h4-7,11,15,17H,3,8-10H2,1-2H3
InChIKeyUVSYBXQABJOQEL-UHFFFAOYSA-N
MW240.32 g/mol
LogP1.62
Rot. Bonds7

About 4-(N-ethyl-2-fluoroanilino)-2-(methylamino)butan-1-ol

4-(N-ethyl-2-fluoroanilino)-2-(methylamino)butan-1-ol (PubChem CID 64791728) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is 4-(N-ethyl-2-fluoroanilino)-2-(methylamino)butan-1-ol.

Molecular Properties

Compound Name4-(N-ethyl-2-fluoroanilino)-2-(methylamino)butan-1-ol
PubChem CID64791728
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC Name4-(N-ethyl-2-fluoroanilino)-2-(methylamino)butan-1-ol
SMILESCCN(CCC(CO)NC)c1ccccc1F
InChIInChI=1S/C13H21FN2O/c1-3-16(9-8-11(10-17)15-2)13-7-5-4-6-12(13)14/h4-7,11,15,17H,3,8-10H2,1-2H3
InChIKeyUVSYBXQABJOQEL-UHFFFAOYSA-N
XLogP1.62
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(N-ethyl-2-fluoroanilino)-2-(methylamino)butan-1-ol 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-amino-4-(N-ethyl-2-fluoroanilino)butanoic acid
CID 63054175
3-(N-ethyl-2-fluoroanilino)propane-1,2-diol
CID 82849393
4-(N-ethyl-2-methylanilino)-2-(propylamino)butan-1-ol
CID 64790184
3-(N-ethyl-2-fluoroanilino)-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83111121
4-(N,2-dimethylanilino)-2-(methylamino)butan-1-ol
CID 64791335
N'-ethyl-N'-(2-fluorophenyl)-1-(4-methylphenyl)propane-1,3-diamine
CID 62618774
1-(4-chlorophenyl)-N'-ethyl-N'-(2-fluorophenyl)propane-1,3-diamine
CID 63493331
3-(N-ethyl-2-fluoroanilino)propanehydrazide
CID 63583064
2-(cyclopropylamino)-4-(N-ethyl-2-fluoroanilino)butanenitrile
CID 63030292
2-[2-fluoro-N-(2-hydroxyethyl)anilino]ethanol
CID 94254513
(1R)-1-[2-[ethyl(2-hydroxyethyl)amino]-6-fluorophenyl]ethanol
CID 63371083
2-[2-(N-ethyl-2-fluoroanilino)ethoxy]propanethioamide
CID 114266238

Frequently Asked Questions

What is the IUPAC name of 4-(N-ethyl-2-fluoroanilino)-2-(methylamino)butan-1-ol?
The IUPAC name of 4-(N-ethyl-2-fluoroanilino)-2-(methylamino)butan-1-ol (CID 64791728) is 4-(N-ethyl-2-fluoroanilino)-2-(methylamino)butan-1-ol.
What is the SMILES notation for 4-(N-ethyl-2-fluoroanilino)-2-(methylamino)butan-1-ol?
The canonical SMILES for 4-(N-ethyl-2-fluoroanilino)-2-(methylamino)butan-1-ol is CCN(CCC(CO)NC)c1ccccc1F.
What is the InChIKey of 4-(N-ethyl-2-fluoroanilino)-2-(methylamino)butan-1-ol?
The InChIKey is UVSYBXQABJOQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-3-16(9-8-11(10-17)15-2)13-7-5-4-6-12(13)14/h4-7,11,15,17H,3,8-10H2,1-2H3.
What are the key properties of 4-(N-ethyl-2-fluoroanilino)-2-(methylamino)butan-1-ol?
4-(N-ethyl-2-fluoroanilino)-2-(methylamino)butan-1-ol has a molecular weight of 240.32 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-ethyl-2-fluoroanilino)-2-(methylamino)butan-1-ol is sourced from PubChem (CID 64791728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).