2-fluoro-4-[[1-(4-methylphenoxy)propan-2-ylamino]methyl]phenol

C17H20FNO2 — CID 107685692

IUPAC2-fluoro-4-[[1-(4-methylphenoxy)propan-2-ylamino]methyl]phenol
SMILESCc1ccc(OCC(C)NCc2ccc(O)c(F)c2)cc1
InChIInChI=1S/C17H20FNO2/c1-12-3-6-15(7-4-12)21-11-13(2)19-10-14-5-8-17(20)16(18)9-14/h3-9,13,19-20H,10-11H2,1-2H3
InChIKeySEAZUINJTOHSFN-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.40
Rot. Bonds6

About 2-fluoro-4-[[1-(4-methylphenoxy)propan-2-ylamino]methyl]phenol

2-fluoro-4-[[1-(4-methylphenoxy)propan-2-ylamino]methyl]phenol (PubChem CID 107685692) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 2-fluoro-4-[[1-(4-methylphenoxy)propan-2-ylamino]methyl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[[1-(4-methylphenoxy)propan-2-ylamino]methyl]phenol
PubChem CID107685692
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name2-fluoro-4-[[1-(4-methylphenoxy)propan-2-ylamino]methyl]phenol
SMILESCc1ccc(OCC(C)NCc2ccc(O)c(F)c2)cc1
InChIInChI=1S/C17H20FNO2/c1-12-3-6-15(7-4-12)21-11-13(2)19-10-14-5-8-17(20)16(18)9-14/h3-9,13,19-20H,10-11H2,1-2H3
InChIKeySEAZUINJTOHSFN-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-difluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine
CID 61167924
3-[[1-(4-methylphenoxy)propan-2-ylamino]methyl]benzene-1,2-diol
CID 61319932
N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine
CID 63452448
2-fluoro-4-[(hexan-2-ylamino)methyl]phenol
CID 115722402
(2R)-1-(4-methylphenoxy)-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]propan-2-amine
CID 97222553
4-[(1-cyclopropylpropan-2-ylamino)methyl]-2-fluorophenol
CID 115722404
2-fluoro-4-[(heptan-2-ylamino)methyl]phenol
CID 103784673
4-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]-2-fluorophenol
CID 114114858
N-[(2-chloro-5-fluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine
CID 102615548
N-[(2-chloro-6-fluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine
CID 63452789
2-[1-(4-methylphenoxy)propan-2-ylamino]ethanol
CID 61166956
1-(4-methylphenoxy)-N-(pyridin-3-ylmethyl)propan-2-amine
CID 61167930

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[[1-(4-methylphenoxy)propan-2-ylamino]methyl]phenol?
The IUPAC name of 2-fluoro-4-[[1-(4-methylphenoxy)propan-2-ylamino]methyl]phenol (CID 107685692) is 2-fluoro-4-[[1-(4-methylphenoxy)propan-2-ylamino]methyl]phenol.
What is the SMILES notation for 2-fluoro-4-[[1-(4-methylphenoxy)propan-2-ylamino]methyl]phenol?
The canonical SMILES for 2-fluoro-4-[[1-(4-methylphenoxy)propan-2-ylamino]methyl]phenol is Cc1ccc(OCC(C)NCc2ccc(O)c(F)c2)cc1.
What is the InChIKey of 2-fluoro-4-[[1-(4-methylphenoxy)propan-2-ylamino]methyl]phenol?
The InChIKey is SEAZUINJTOHSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-12-3-6-15(7-4-12)21-11-13(2)19-10-14-5-8-17(20)16(18)9-14/h3-9,13,19-20H,10-11H2,1-2H3.
What are the key properties of 2-fluoro-4-[[1-(4-methylphenoxy)propan-2-ylamino]methyl]phenol?
2-fluoro-4-[[1-(4-methylphenoxy)propan-2-ylamino]methyl]phenol has a molecular weight of 289.35 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[[1-(4-methylphenoxy)propan-2-ylamino]methyl]phenol is sourced from PubChem (CID 107685692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).