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

C17H20FNO2 — CID 107696082

IUPAC4-[[4-fluoro-2-[(propan-2-ylamino)methyl]phenoxy]methyl]phenol
SMILESCC(C)NCc1cc(F)ccc1OCc1ccc(O)cc1
InChIInChI=1S/C17H20FNO2/c1-12(2)19-10-14-9-15(18)5-8-17(14)21-11-13-3-6-16(20)7-4-13/h3-9,12,19-20H,10-11H2,1-2H3
InChIKeyHZZOSDBJCMSNCP-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.61
Rot. Bonds6

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

4-[[4-fluoro-2-[(propan-2-ylamino)methyl]phenoxy]methyl]phenol (PubChem CID 107696082) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 4-[[4-fluoro-2-[(propan-2-ylamino)methyl]phenoxy]methyl]phenol.

Molecular Properties

Compound Name4-[[4-fluoro-2-[(propan-2-ylamino)methyl]phenoxy]methyl]phenol
PubChem CID107696082
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name4-[[4-fluoro-2-[(propan-2-ylamino)methyl]phenoxy]methyl]phenol
SMILESCC(C)NCc1cc(F)ccc1OCc1ccc(O)cc1
InChIInChI=1S/C17H20FNO2/c1-12(2)19-10-14-9-15(18)5-8-17(14)21-11-13-3-6-16(20)7-4-13/h3-9,12,19-20H,10-11H2,1-2H3
InChIKeyHZZOSDBJCMSNCP-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

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Related Compounds

N-[[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 63486234
N-[[2-[(2-bromophenyl)methoxy]-5-fluorophenyl]methyl]propan-2-amine
CID 107696130
N-[[4-[(5-fluoro-2-methylphenoxy)methyl]phenyl]methyl]propan-2-amine
CID 102986333
1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenoxy]-2,3-dimethylbutan-2-ol
CID 107696197
N-[[2-[(4-ethylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 63500787
N-[[2-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]propan-2-amine
CID 66529446
N-[[2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]propan-2-amine
CID 62198279
N-[[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine
CID 63045368
methyl 4-[4-fluoro-2-[(propan-2-ylamino)methyl]phenoxy]butanoate
CID 107696219
N-[[5-fluoro-2-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 107696179
N-[[5-(4-fluorophenyl)-2-methoxyphenyl]methyl]propan-2-amine
CID 61025376
2-(bromomethyl)-4-fluoro-1-[(4-fluorophenyl)methoxy]benzene
CID 89437019

Frequently Asked Questions

What is the IUPAC name of 4-[[4-fluoro-2-[(propan-2-ylamino)methyl]phenoxy]methyl]phenol?
The IUPAC name of 4-[[4-fluoro-2-[(propan-2-ylamino)methyl]phenoxy]methyl]phenol (CID 107696082) is 4-[[4-fluoro-2-[(propan-2-ylamino)methyl]phenoxy]methyl]phenol.
What is the SMILES notation for 4-[[4-fluoro-2-[(propan-2-ylamino)methyl]phenoxy]methyl]phenol?
The canonical SMILES for 4-[[4-fluoro-2-[(propan-2-ylamino)methyl]phenoxy]methyl]phenol is CC(C)NCc1cc(F)ccc1OCc1ccc(O)cc1.
What is the InChIKey of 4-[[4-fluoro-2-[(propan-2-ylamino)methyl]phenoxy]methyl]phenol?
The InChIKey is HZZOSDBJCMSNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-12(2)19-10-14-9-15(18)5-8-17(14)21-11-13-3-6-16(20)7-4-13/h3-9,12,19-20H,10-11H2,1-2H3.
What are the key properties of 4-[[4-fluoro-2-[(propan-2-ylamino)methyl]phenoxy]methyl]phenol?
4-[[4-fluoro-2-[(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 4-[[4-fluoro-2-[(propan-2-ylamino)methyl]phenoxy]methyl]phenol is sourced from PubChem (CID 107696082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).