1-[2-fluoro-4-[1-(propylamino)ethyl]phenoxy]-2-methylbutan-2-ol

C16H26FNO2 — CID 114492395

IUPAC1-[2-fluoro-4-[1-(propylamino)ethyl]phenoxy]-2-methylbutan-2-ol
SMILESCCCNC(C)c1ccc(OCC(C)(O)CC)c(F)c1
InChIInChI=1S/C16H26FNO2/c1-5-9-18-12(3)13-7-8-15(14(17)10-13)20-11-16(4,19)6-2/h7-8,10,12,18-19H,5-6,9,11H2,1-4H3
InChIKeyZRGSWGUVVISZFA-UHFFFAOYSA-N
MW283.39 g/mol
LogP3.43
Rot. Bonds8

About 1-[2-fluoro-4-[1-(propylamino)ethyl]phenoxy]-2-methylbutan-2-ol

1-[2-fluoro-4-[1-(propylamino)ethyl]phenoxy]-2-methylbutan-2-ol (PubChem CID 114492395) has the molecular formula C16H26FNO2 and a molecular weight of 283.39 g/mol. Its IUPAC name is 1-[2-fluoro-4-[1-(propylamino)ethyl]phenoxy]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[2-fluoro-4-[1-(propylamino)ethyl]phenoxy]-2-methylbutan-2-ol
PubChem CID114492395
Molecular FormulaC16H26FNO2
Molecular Weight283.39 g/mol
Exact Mass283.19
IUPAC Name1-[2-fluoro-4-[1-(propylamino)ethyl]phenoxy]-2-methylbutan-2-ol
SMILESCCCNC(C)c1ccc(OCC(C)(O)CC)c(F)c1
InChIInChI=1S/C16H26FNO2/c1-5-9-18-12(3)13-7-8-15(14(17)10-13)20-11-16(4,19)6-2/h7-8,10,12,18-19H,5-6,9,11H2,1-4H3
InChIKeyZRGSWGUVVISZFA-UHFFFAOYSA-N
XLogP3.43
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-fluoro-4-[1-(propylamino)ethyl]phenoxy]-2-methylbutan-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

3-[[2-fluoro-4-[1-(propylamino)ethyl]phenoxy]methyl]pentan-3-ol
CID 114492396
N-[1-[3-fluoro-4-(2-propoxyethoxy)phenyl]ethyl]propan-1-amine
CID 63685288
N-[1-[3-fluoro-4-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine
CID 43285404
N-[(1R)-1-(4-ethoxy-3-fluorophenyl)ethyl]pentan-1-amine
CID 29064082
1-[2-fluoro-4-[1-(methylamino)ethyl]phenoxy]-2,3-dimethylbutan-2-ol
CID 114492391
2-fluoro-4-[(1R)-1-(propylamino)ethyl]phenol
CID 29080220
N-[(1S)-1-(4-ethoxy-3-fluorophenyl)ethyl]-3-methylbutan-1-amine
CID 28702275
N-[1-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]propan-1-amine
CID 43279496
1-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]-2-methylbutan-2-ol
CID 114491704
N-[1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine
CID 60820092
1-[2-fluoro-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol
CID 107686628
ethane;1-(2-fluoro-4-propan-2-ylphenoxy)-2-methylpropan-2-ol
CID 142399478

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-[1-(propylamino)ethyl]phenoxy]-2-methylbutan-2-ol?
The IUPAC name of 1-[2-fluoro-4-[1-(propylamino)ethyl]phenoxy]-2-methylbutan-2-ol (CID 114492395) is 1-[2-fluoro-4-[1-(propylamino)ethyl]phenoxy]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[2-fluoro-4-[1-(propylamino)ethyl]phenoxy]-2-methylbutan-2-ol?
The canonical SMILES for 1-[2-fluoro-4-[1-(propylamino)ethyl]phenoxy]-2-methylbutan-2-ol is CCCNC(C)c1ccc(OCC(C)(O)CC)c(F)c1.
What is the InChIKey of 1-[2-fluoro-4-[1-(propylamino)ethyl]phenoxy]-2-methylbutan-2-ol?
The InChIKey is ZRGSWGUVVISZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO2/c1-5-9-18-12(3)13-7-8-15(14(17)10-13)20-11-16(4,19)6-2/h7-8,10,12,18-19H,5-6,9,11H2,1-4H3.
What are the key properties of 1-[2-fluoro-4-[1-(propylamino)ethyl]phenoxy]-2-methylbutan-2-ol?
1-[2-fluoro-4-[1-(propylamino)ethyl]phenoxy]-2-methylbutan-2-ol has a molecular weight of 283.39 g/mol, XLogP of 3.43, 8 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-(propylamino)ethyl]phenoxy]-2-methylbutan-2-ol is sourced from PubChem (CID 114492395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).