3-[3-fluoro-2-[1-(propylamino)ethyl]phenoxy]propan-1-ol

C14H22FNO2 — CID 43285956

IUPAC3-[3-fluoro-2-[1-(propylamino)ethyl]phenoxy]propan-1-ol
SMILESCCCNC(C)c1c(F)cccc1OCCCO
InChIInChI=1S/C14H22FNO2/c1-3-8-16-11(2)14-12(15)6-4-7-13(14)18-10-5-9-17/h4,6-7,11,16-17H,3,5,8-10H2,1-2H3
InChIKeyMEHWPFGCWFCJKN-UHFFFAOYSA-N
MW255.33 g/mol
LogP2.65
Rot. Bonds8

About 3-[3-fluoro-2-[1-(propylamino)ethyl]phenoxy]propan-1-ol

3-[3-fluoro-2-[1-(propylamino)ethyl]phenoxy]propan-1-ol (PubChem CID 43285956) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is 3-[3-fluoro-2-[1-(propylamino)ethyl]phenoxy]propan-1-ol.

Molecular Properties

Compound Name3-[3-fluoro-2-[1-(propylamino)ethyl]phenoxy]propan-1-ol
PubChem CID43285956
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC Name3-[3-fluoro-2-[1-(propylamino)ethyl]phenoxy]propan-1-ol
SMILESCCCNC(C)c1c(F)cccc1OCCCO
InChIInChI=1S/C14H22FNO2/c1-3-8-16-11(2)14-12(15)6-4-7-13(14)18-10-5-9-17/h4,6-7,11,16-17H,3,5,8-10H2,1-2H3
InChIKeyMEHWPFGCWFCJKN-UHFFFAOYSA-N
XLogP2.65
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-fluoro-6-propoxyphenyl)ethyl]propan-1-amine
CID 43286026
N-[1-[2-fluoro-6-(4,4,4-trifluorobutoxy)phenyl]ethyl]propan-1-amine
CID 82782468
N-[1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 24691254
N-ethyl-1-[2-fluoro-6-(4,4,4-trifluorobutoxy)phenyl]ethanamine
CID 82788452
1-[2-fluoro-6-(3-methylbutoxy)phenyl]-N-methylethanamine
CID 43285076
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-4-methoxybutan-1-amine
CID 112700153
1-[2-(2,2-difluoroethoxy)-6-fluorophenyl]-N-ethylethanamine
CID 82006421
N-[1-[2-(1-ethylpyrazol-4-yl)oxy-6-fluorophenyl]ethyl]propan-1-amine
CID 116801654
N-[1-[2-fluoro-6-(2-methylcyclohexyl)oxyphenyl]ethyl]propan-1-amine
CID 43285022
3-(2,3-difluorophenoxy)propan-1-ol
CID 63037951
1-[2-fluoro-6-(2-methylpentoxy)phenyl]-N-methylethanamine
CID 103283997
3-fluoro-N-(3-methoxypropyl)-N-methyl-2-[1-(propylamino)ethyl]aniline
CID 63009989

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-2-[1-(propylamino)ethyl]phenoxy]propan-1-ol?
The IUPAC name of 3-[3-fluoro-2-[1-(propylamino)ethyl]phenoxy]propan-1-ol (CID 43285956) is 3-[3-fluoro-2-[1-(propylamino)ethyl]phenoxy]propan-1-ol.
What is the SMILES notation for 3-[3-fluoro-2-[1-(propylamino)ethyl]phenoxy]propan-1-ol?
The canonical SMILES for 3-[3-fluoro-2-[1-(propylamino)ethyl]phenoxy]propan-1-ol is CCCNC(C)c1c(F)cccc1OCCCO.
What is the InChIKey of 3-[3-fluoro-2-[1-(propylamino)ethyl]phenoxy]propan-1-ol?
The InChIKey is MEHWPFGCWFCJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2/c1-3-8-16-11(2)14-12(15)6-4-7-13(14)18-10-5-9-17/h4,6-7,11,16-17H,3,5,8-10H2,1-2H3.
What are the key properties of 3-[3-fluoro-2-[1-(propylamino)ethyl]phenoxy]propan-1-ol?
3-[3-fluoro-2-[1-(propylamino)ethyl]phenoxy]propan-1-ol has a molecular weight of 255.33 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-2-[1-(propylamino)ethyl]phenoxy]propan-1-ol is sourced from PubChem (CID 43285956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).