4-(4-fluoro-N-methylanilino)-2-methyl-2-(methylamino)butan-1-ol

C13H21FN2O — CID 64789532

IUPAC4-(4-fluoro-N-methylanilino)-2-methyl-2-(methylamino)butan-1-ol
SMILESCNC(C)(CO)CCN(C)c1ccc(F)cc1
InChIInChI=1S/C13H21FN2O/c1-13(10-17,15-2)8-9-16(3)12-6-4-11(14)5-7-12/h4-7,15,17H,8-10H2,1-3H3
InChIKeyGNLLKRYBBQWUOG-UHFFFAOYSA-N
MW240.32 g/mol
LogP1.62
Rot. Bonds6

About 4-(4-fluoro-N-methylanilino)-2-methyl-2-(methylamino)butan-1-ol

4-(4-fluoro-N-methylanilino)-2-methyl-2-(methylamino)butan-1-ol (PubChem CID 64789532) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is 4-(4-fluoro-N-methylanilino)-2-methyl-2-(methylamino)butan-1-ol.

Molecular Properties

Compound Name4-(4-fluoro-N-methylanilino)-2-methyl-2-(methylamino)butan-1-ol
PubChem CID64789532
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC Name4-(4-fluoro-N-methylanilino)-2-methyl-2-(methylamino)butan-1-ol
SMILESCNC(C)(CO)CCN(C)c1ccc(F)cc1
InChIInChI=1S/C13H21FN2O/c1-13(10-17,15-2)8-9-16(3)12-6-4-11(14)5-7-12/h4-7,15,17H,8-10H2,1-3H3
InChIKeyGNLLKRYBBQWUOG-UHFFFAOYSA-N
XLogP1.62
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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-(4-fluoro-N-methylanilino)-2-methyl-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

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-N-methylanilino)-2-methyl-2-(methylamino)butan-1-ol?
The IUPAC name of 4-(4-fluoro-N-methylanilino)-2-methyl-2-(methylamino)butan-1-ol (CID 64789532) is 4-(4-fluoro-N-methylanilino)-2-methyl-2-(methylamino)butan-1-ol.
What is the SMILES notation for 4-(4-fluoro-N-methylanilino)-2-methyl-2-(methylamino)butan-1-ol?
The canonical SMILES for 4-(4-fluoro-N-methylanilino)-2-methyl-2-(methylamino)butan-1-ol is CNC(C)(CO)CCN(C)c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluoro-N-methylanilino)-2-methyl-2-(methylamino)butan-1-ol?
The InChIKey is GNLLKRYBBQWUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-13(10-17,15-2)8-9-16(3)12-6-4-11(14)5-7-12/h4-7,15,17H,8-10H2,1-3H3.
What are the key properties of 4-(4-fluoro-N-methylanilino)-2-methyl-2-(methylamino)butan-1-ol?
4-(4-fluoro-N-methylanilino)-2-methyl-2-(methylamino)butan-1-ol has a molecular weight of 240.32 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-N-methylanilino)-2-methyl-2-(methylamino)butan-1-ol is sourced from PubChem (CID 64789532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).