3-[[4-fluoro-2-[1-(propylamino)ethyl]phenoxy]methyl]pentan-3-ol

C17H28FNO2 — CID 114492212

IUPAC3-[[4-fluoro-2-[1-(propylamino)ethyl]phenoxy]methyl]pentan-3-ol
SMILESCCCNC(C)c1cc(F)ccc1OCC(O)(CC)CC
InChIInChI=1S/C17H28FNO2/c1-5-10-19-13(4)15-11-14(18)8-9-16(15)21-12-17(20,6-2)7-3/h8-9,11,13,19-20H,5-7,10,12H2,1-4H3
InChIKeyKBYPPAULYZSQKM-UHFFFAOYSA-N
MW297.41 g/mol
LogP3.82
Rot. Bonds9

About 3-[[4-fluoro-2-[1-(propylamino)ethyl]phenoxy]methyl]pentan-3-ol

3-[[4-fluoro-2-[1-(propylamino)ethyl]phenoxy]methyl]pentan-3-ol (PubChem CID 114492212) has the molecular formula C17H28FNO2 and a molecular weight of 297.41 g/mol. Its IUPAC name is 3-[[4-fluoro-2-[1-(propylamino)ethyl]phenoxy]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[4-fluoro-2-[1-(propylamino)ethyl]phenoxy]methyl]pentan-3-ol
PubChem CID114492212
Molecular FormulaC17H28FNO2
Molecular Weight297.41 g/mol
Exact Mass297.21
IUPAC Name3-[[4-fluoro-2-[1-(propylamino)ethyl]phenoxy]methyl]pentan-3-ol
SMILESCCCNC(C)c1cc(F)ccc1OCC(O)(CC)CC
InChIInChI=1S/C17H28FNO2/c1-5-10-19-13(4)15-11-14(18)8-9-16(15)21-12-17(20,6-2)7-3/h8-9,11,13,19-20H,5-7,10,12H2,1-4H3
InChIKeyKBYPPAULYZSQKM-UHFFFAOYSA-N
XLogP3.82
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[4-fluoro-2-[1-(propylamino)ethyl]phenoxy]methyl]pentan-3-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-[[4-bromo-2-[1-(propylamino)ethyl]phenoxy]methyl]pentan-3-ol
CID 114491939
3-[[2-fluoro-4-[1-(propylamino)ethyl]phenoxy]methyl]pentan-3-ol
CID 114492396
N-[1-[5-fluoro-2-(4-fluorophenoxy)phenyl]ethyl]propan-1-amine
CID 43285523
N-[1-(2,5-difluorophenyl)ethyl]propan-1-amine
CID 24705464
N-[1-(2-cyclopentyloxy-5-fluorophenyl)ethyl]propan-1-amine
CID 43284936
N-[1-(4-fluoro-2-methoxyphenyl)ethyl]propan-1-amine
CID 63066757
N-ethyl-1-(5-fluoro-2-pentoxyphenyl)ethanamine
CID 43286048
5-fluoro-2-[1-(propylamino)ethyl]phenol
CID 63064581
1-[2-fluoro-4-[1-(propylamino)ethyl]phenoxy]-2-methylbutan-2-ol
CID 114492395
2-[5-fluoro-2-[1-(propylamino)ethyl]phenoxy]-N,N-dimethylacetamide
CID 63066754
N'-tert-butyl-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 107445151
N-[1-[2-(difluoromethoxy)-4-fluorophenyl]ethyl]propan-1-amine
CID 63064638

Frequently Asked Questions

What is the IUPAC name of 3-[[4-fluoro-2-[1-(propylamino)ethyl]phenoxy]methyl]pentan-3-ol?
The IUPAC name of 3-[[4-fluoro-2-[1-(propylamino)ethyl]phenoxy]methyl]pentan-3-ol (CID 114492212) is 3-[[4-fluoro-2-[1-(propylamino)ethyl]phenoxy]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[4-fluoro-2-[1-(propylamino)ethyl]phenoxy]methyl]pentan-3-ol?
The canonical SMILES for 3-[[4-fluoro-2-[1-(propylamino)ethyl]phenoxy]methyl]pentan-3-ol is CCCNC(C)c1cc(F)ccc1OCC(O)(CC)CC.
What is the InChIKey of 3-[[4-fluoro-2-[1-(propylamino)ethyl]phenoxy]methyl]pentan-3-ol?
The InChIKey is KBYPPAULYZSQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FNO2/c1-5-10-19-13(4)15-11-14(18)8-9-16(15)21-12-17(20,6-2)7-3/h8-9,11,13,19-20H,5-7,10,12H2,1-4H3.
What are the key properties of 3-[[4-fluoro-2-[1-(propylamino)ethyl]phenoxy]methyl]pentan-3-ol?
3-[[4-fluoro-2-[1-(propylamino)ethyl]phenoxy]methyl]pentan-3-ol has a molecular weight of 297.41 g/mol, XLogP of 3.82, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-fluoro-2-[1-(propylamino)ethyl]phenoxy]methyl]pentan-3-ol is sourced from PubChem (CID 114492212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).