N-[[4-fluoro-3-(pyridin-3-yloxymethyl)phenyl]methyl]-2-methylpropan-1-amine

C17H21FN2O — CID 107457193

IUPACN-[[4-fluoro-3-(pyridin-3-yloxymethyl)phenyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccc(F)c(COc2cccnc2)c1
InChIInChI=1S/C17H21FN2O/c1-13(2)9-20-10-14-5-6-17(18)15(8-14)12-21-16-4-3-7-19-11-16/h3-8,11,13,20H,9-10,12H2,1-2H3
InChIKeyCPUPCWIGQVEYRZ-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.55
Rot. Bonds7

About N-[[4-fluoro-3-(pyridin-3-yloxymethyl)phenyl]methyl]-2-methylpropan-1-amine

N-[[4-fluoro-3-(pyridin-3-yloxymethyl)phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 107457193) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is N-[[4-fluoro-3-(pyridin-3-yloxymethyl)phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-fluoro-3-(pyridin-3-yloxymethyl)phenyl]methyl]-2-methylpropan-1-amine
PubChem CID107457193
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC NameN-[[4-fluoro-3-(pyridin-3-yloxymethyl)phenyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccc(F)c(COc2cccnc2)c1
InChIInChI=1S/C17H21FN2O/c1-13(2)9-20-10-14-5-6-17(18)15(8-14)12-21-16-4-3-7-19-11-16/h3-8,11,13,20H,9-10,12H2,1-2H3
InChIKeyCPUPCWIGQVEYRZ-UHFFFAOYSA-N
XLogP3.55
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-fluoro-3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 107456800
N-[(3-chloro-4-pyridin-3-yloxyphenyl)methyl]-2-methylpropan-1-amine
CID 81155490
N-[[3-[(5-bromo-3-pyridinyl)oxymethyl]-4-fluorophenyl]methyl]ethanamine
CID 107457738
N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 103880565
N-[[3-(cyclopropylmethoxymethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 107457131
N-[[3-[(4-ethylphenoxy)methyl]-4-fluorophenyl]methyl]ethanamine
CID 107457309
N-[[4-fluoro-3-(hexoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 107457094
N-[[3-[(3-chlorophenoxy)methyl]-4-fluorophenyl]methyl]ethanamine
CID 107457482
N-[[3-(diethylaminomethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 107453745
4-fluoro-3-(pyridin-3-yloxymethyl)benzoic acid
CID 63074970
N-[[4-fluoro-3-[(2-methyl-3-pyridinyl)oxymethyl]phenyl]methyl]ethanamine
CID 107457828
N-[[3-[(3,5-dichlorophenoxy)methyl]-4-fluorophenyl]methyl]ethanamine
CID 107457585

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-3-(pyridin-3-yloxymethyl)phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-fluoro-3-(pyridin-3-yloxymethyl)phenyl]methyl]-2-methylpropan-1-amine (CID 107457193) is N-[[4-fluoro-3-(pyridin-3-yloxymethyl)phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-fluoro-3-(pyridin-3-yloxymethyl)phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-fluoro-3-(pyridin-3-yloxymethyl)phenyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1ccc(F)c(COc2cccnc2)c1.
What is the InChIKey of N-[[4-fluoro-3-(pyridin-3-yloxymethyl)phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is CPUPCWIGQVEYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-13(2)9-20-10-14-5-6-17(18)15(8-14)12-21-16-4-3-7-19-11-16/h3-8,11,13,20H,9-10,12H2,1-2H3.
What are the key properties of N-[[4-fluoro-3-(pyridin-3-yloxymethyl)phenyl]methyl]-2-methylpropan-1-amine?
N-[[4-fluoro-3-(pyridin-3-yloxymethyl)phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 288.37 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-3-(pyridin-3-yloxymethyl)phenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 107457193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).