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

C17H20FNO2 — CID 107687781

IUPAC3-[[2-fluoro-4-[(propan-2-ylamino)methyl]phenoxy]methyl]phenol
SMILESCC(C)NCc1ccc(OCc2cccc(O)c2)c(F)c1
InChIInChI=1S/C17H20FNO2/c1-12(2)19-10-13-6-7-17(16(18)9-13)21-11-14-4-3-5-15(20)8-14/h3-9,12,19-20H,10-11H2,1-2H3
InChIKeyDEHURXCANGNNCU-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.61
Rot. Bonds6

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

3-[[2-fluoro-4-[(propan-2-ylamino)methyl]phenoxy]methyl]phenol (PubChem CID 107687781) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 3-[[2-fluoro-4-[(propan-2-ylamino)methyl]phenoxy]methyl]phenol.

Molecular Properties

Compound Name3-[[2-fluoro-4-[(propan-2-ylamino)methyl]phenoxy]methyl]phenol
PubChem CID107687781
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name3-[[2-fluoro-4-[(propan-2-ylamino)methyl]phenoxy]methyl]phenol
SMILESCC(C)NCc1ccc(OCc2cccc(O)c2)c(F)c1
InChIInChI=1S/C17H20FNO2/c1-12(2)19-10-13-6-7-17(16(18)9-13)21-11-14-4-3-5-15(20)8-14/h3-9,12,19-20H,10-11H2,1-2H3
InChIKeyDEHURXCANGNNCU-UHFFFAOYSA-N
XLogP3.61
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

Analyze 3-[[2-fluoro-4-[(propan-2-ylamino)methyl]phenoxy]methyl]phenol 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

propane;3-[(propan-2-ylamino)methyl]phenol
CID 143074534
N-[[4-[(2-bromophenyl)methoxy]-3-fluorophenyl]methyl]propan-2-amine
CID 107687726
N-[[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]methyl]propan-2-amine
CID 103615857
N-[[4-[(4-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]propan-2-amine
CID 107687443
N-[(4-but-2-ynoxy-3-fluorophenyl)methyl]propan-2-amine
CID 107687869
N-[(3-fluoro-4-phenoxyphenyl)methyl]propan-2-amine
CID 43283192
N-[[3-fluoro-4-(3-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 43283333
N-[[3-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 107687734
N-[[3-[(3-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine
CID 39372695
2-[2-fluoro-4-[(propan-2-ylamino)methyl]phenoxy]-N-(2-methylpropyl)acetamide
CID 107687871
N-[[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine
CID 63045368
2-[2-fluoro-4-[(propan-2-ylamino)methyl]phenoxy]-N-propylacetamide
CID 107687590

Frequently Asked Questions

What is the IUPAC name of 3-[[2-fluoro-4-[(propan-2-ylamino)methyl]phenoxy]methyl]phenol?
The IUPAC name of 3-[[2-fluoro-4-[(propan-2-ylamino)methyl]phenoxy]methyl]phenol (CID 107687781) is 3-[[2-fluoro-4-[(propan-2-ylamino)methyl]phenoxy]methyl]phenol.
What is the SMILES notation for 3-[[2-fluoro-4-[(propan-2-ylamino)methyl]phenoxy]methyl]phenol?
The canonical SMILES for 3-[[2-fluoro-4-[(propan-2-ylamino)methyl]phenoxy]methyl]phenol is CC(C)NCc1ccc(OCc2cccc(O)c2)c(F)c1.
What is the InChIKey of 3-[[2-fluoro-4-[(propan-2-ylamino)methyl]phenoxy]methyl]phenol?
The InChIKey is DEHURXCANGNNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-12(2)19-10-13-6-7-17(16(18)9-13)21-11-14-4-3-5-15(20)8-14/h3-9,12,19-20H,10-11H2,1-2H3.
What are the key properties of 3-[[2-fluoro-4-[(propan-2-ylamino)methyl]phenoxy]methyl]phenol?
3-[[2-fluoro-4-[(propan-2-ylamino)methyl]phenoxy]methyl]phenol has a molecular weight of 289.35 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-fluoro-4-[(propan-2-ylamino)methyl]phenoxy]methyl]phenol is sourced from PubChem (CID 107687781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).