1-[2-fluoro-4-[1-(methylamino)ethyl]phenoxy]-2,3-dimethylbutan-2-ol

C15H24FNO2 — CID 114492391

IUPAC1-[2-fluoro-4-[1-(methylamino)ethyl]phenoxy]-2,3-dimethylbutan-2-ol
SMILESCNC(C)c1ccc(OCC(C)(O)C(C)C)c(F)c1
InChIInChI=1S/C15H24FNO2/c1-10(2)15(4,18)9-19-14-7-6-12(8-13(14)16)11(3)17-5/h6-8,10-11,17-18H,9H2,1-5H3
InChIKeyAEPLEZPJUNNHFA-UHFFFAOYSA-N
MW269.36 g/mol
LogP2.89
Rot. Bonds6

About 1-[2-fluoro-4-[1-(methylamino)ethyl]phenoxy]-2,3-dimethylbutan-2-ol

1-[2-fluoro-4-[1-(methylamino)ethyl]phenoxy]-2,3-dimethylbutan-2-ol (PubChem CID 114492391) has the molecular formula C15H24FNO2 and a molecular weight of 269.36 g/mol. Its IUPAC name is 1-[2-fluoro-4-[1-(methylamino)ethyl]phenoxy]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-[2-fluoro-4-[1-(methylamino)ethyl]phenoxy]-2,3-dimethylbutan-2-ol
PubChem CID114492391
Molecular FormulaC15H24FNO2
Molecular Weight269.36 g/mol
Exact Mass269.18
IUPAC Name1-[2-fluoro-4-[1-(methylamino)ethyl]phenoxy]-2,3-dimethylbutan-2-ol
SMILESCNC(C)c1ccc(OCC(C)(O)C(C)C)c(F)c1
InChIInChI=1S/C15H24FNO2/c1-10(2)15(4,18)9-19-14-7-6-12(8-13(14)16)11(3)17-5/h6-8,10-11,17-18H,9H2,1-5H3
InChIKeyAEPLEZPJUNNHFA-UHFFFAOYSA-N
XLogP2.89
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-fluoro-4-[1-(methylamino)ethyl]phenoxy]-2,3-dimethylbutan-2-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

ethane;1-(2-fluoro-4-propan-2-ylphenoxy)-2-methylpropan-2-ol
CID 142399478
(1R)-1-(3-fluoro-4-phenylmethoxyphenyl)-N-methylethanamine
CID 93009968
1-[4-[(3,5-difluorophenyl)methoxy]-3-fluorophenyl]-N-methylethanamine
CID 105402735
1-[2-fluoro-4-[1-(propylamino)ethyl]phenoxy]-2-methylbutan-2-ol
CID 114492395
1-[3-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
CID 63937562
3-[[2-fluoro-4-[1-(propylamino)ethyl]phenoxy]methyl]pentan-3-ol
CID 114492396
1-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]-2-methylbutan-2-ol
CID 114491704
1-[4-(4-chlorophenoxy)-3-fluorophenyl]-N-methylethanamine
CID 43285448
1-[3-fluoro-4-(4-methylphenoxy)phenyl]-N-methylethanamine
CID 43285113
1-[4-(1-hydroxyethyl)-2-methoxyphenoxy]-2,3-dimethylbutan-2-ol
CID 114494404
1-[3-fluoro-4-(2-methoxyphenoxy)phenyl]-N-methylethanamine
CID 43285605
1-[4-[(3-bromophenyl)methoxy]-3-fluorophenyl]-N-methylethanamine
CID 82824039

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-[1-(methylamino)ethyl]phenoxy]-2,3-dimethylbutan-2-ol?
The IUPAC name of 1-[2-fluoro-4-[1-(methylamino)ethyl]phenoxy]-2,3-dimethylbutan-2-ol (CID 114492391) is 1-[2-fluoro-4-[1-(methylamino)ethyl]phenoxy]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-[2-fluoro-4-[1-(methylamino)ethyl]phenoxy]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1-[2-fluoro-4-[1-(methylamino)ethyl]phenoxy]-2,3-dimethylbutan-2-ol is CNC(C)c1ccc(OCC(C)(O)C(C)C)c(F)c1.
What is the InChIKey of 1-[2-fluoro-4-[1-(methylamino)ethyl]phenoxy]-2,3-dimethylbutan-2-ol?
The InChIKey is AEPLEZPJUNNHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO2/c1-10(2)15(4,18)9-19-14-7-6-12(8-13(14)16)11(3)17-5/h6-8,10-11,17-18H,9H2,1-5H3.
What are the key properties of 1-[2-fluoro-4-[1-(methylamino)ethyl]phenoxy]-2,3-dimethylbutan-2-ol?
1-[2-fluoro-4-[1-(methylamino)ethyl]phenoxy]-2,3-dimethylbutan-2-ol has a molecular weight of 269.36 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-[1-(methylamino)ethyl]phenoxy]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 114492391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).