3-[[4-fluoro-2-(propylaminomethyl)phenoxy]methyl]phenol

C17H20FNO2 — CID 107695916

IUPAC3-[[4-fluoro-2-(propylaminomethyl)phenoxy]methyl]phenol
SMILESCCCNCc1cc(F)ccc1OCc1cccc(O)c1
InChIInChI=1S/C17H20FNO2/c1-2-8-19-11-14-10-15(18)6-7-17(14)21-12-13-4-3-5-16(20)9-13/h3-7,9-10,19-20H,2,8,11-12H2,1H3
InChIKeyMXNMHHOHVJYUEE-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.61
Rot. Bonds7

About 3-[[4-fluoro-2-(propylaminomethyl)phenoxy]methyl]phenol

3-[[4-fluoro-2-(propylaminomethyl)phenoxy]methyl]phenol (PubChem CID 107695916) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 3-[[4-fluoro-2-(propylaminomethyl)phenoxy]methyl]phenol.

Molecular Properties

Compound Name3-[[4-fluoro-2-(propylaminomethyl)phenoxy]methyl]phenol
PubChem CID107695916
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name3-[[4-fluoro-2-(propylaminomethyl)phenoxy]methyl]phenol
SMILESCCCNCc1cc(F)ccc1OCc1cccc(O)c1
InChIInChI=1S/C17H20FNO2/c1-2-8-19-11-14-10-15(18)6-7-17(14)21-12-13-4-3-5-16(20)9-13/h3-7,9-10,19-20H,2,8,11-12H2,1H3
InChIKeyMXNMHHOHVJYUEE-UHFFFAOYSA-N
XLogP3.61
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.61
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-[[5-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 107695868
N-[[2-[(3-chlorophenyl)methoxy]-5-fluorophenyl]methyl]propan-1-amine
CID 107695985
N-[[5-fluoro-2-(methoxymethoxy)phenyl]methyl]propan-1-amine
CID 107695941
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 4716600
3-[[2-methyl-6-(propylaminomethyl)phenoxy]methyl]phenol
CID 115952789
N-[[2-[(3,4-difluorophenyl)methoxy]-5-fluorophenyl]methyl]ethanamine
CID 107695461
N-[[2-[(5-ethylthiophen-2-yl)methoxy]-5-fluorophenyl]methyl]propan-1-amine
CID 107695898
N-[[5-fluoro-2-(3-fluoropropoxy)phenyl]methyl]propan-1-amine
CID 107695992
3-(propylaminomethyl)phenol
CID 10725714
N-[[2-[(3-chlorophenyl)methoxy]-5-methylphenyl]methyl]propan-1-amine
CID 63485880
4-[4-fluoro-2-(propylaminomethyl)phenoxy]-2-methylbutan-2-ol
CID 107695918
3-[4-fluoro-2-(propylaminomethyl)phenoxy]propanamide
CID 107695803

Frequently Asked Questions

What is the IUPAC name of 3-[[4-fluoro-2-(propylaminomethyl)phenoxy]methyl]phenol?
The IUPAC name of 3-[[4-fluoro-2-(propylaminomethyl)phenoxy]methyl]phenol (CID 107695916) is 3-[[4-fluoro-2-(propylaminomethyl)phenoxy]methyl]phenol.
What is the SMILES notation for 3-[[4-fluoro-2-(propylaminomethyl)phenoxy]methyl]phenol?
The canonical SMILES for 3-[[4-fluoro-2-(propylaminomethyl)phenoxy]methyl]phenol is CCCNCc1cc(F)ccc1OCc1cccc(O)c1.
What is the InChIKey of 3-[[4-fluoro-2-(propylaminomethyl)phenoxy]methyl]phenol?
The InChIKey is MXNMHHOHVJYUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-2-8-19-11-14-10-15(18)6-7-17(14)21-12-13-4-3-5-16(20)9-13/h3-7,9-10,19-20H,2,8,11-12H2,1H3.
What are the key properties of 3-[[4-fluoro-2-(propylaminomethyl)phenoxy]methyl]phenol?
3-[[4-fluoro-2-(propylaminomethyl)phenoxy]methyl]phenol has a molecular weight of 289.35 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-fluoro-2-(propylaminomethyl)phenoxy]methyl]phenol is sourced from PubChem (CID 107695916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).