N-[[2-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine

C17H21FN2O — CID 64854495

IUPACN-[[2-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCc1ccc(F)c(Oc2ncccc2CNCC(C)C)c1
InChIInChI=1S/C17H21FN2O/c1-12(2)10-19-11-14-5-4-8-20-17(14)21-16-9-13(3)6-7-15(16)18/h4-9,12,19H,10-11H2,1-3H3
InChIKeyDWCSQAMLZMVCEQ-UHFFFAOYSA-N
MW288.37 g/mol
LogP4.07
Rot. Bonds6

About N-[[2-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine

N-[[2-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 64854495) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is N-[[2-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID64854495
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC NameN-[[2-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCc1ccc(F)c(Oc2ncccc2CNCC(C)C)c1
InChIInChI=1S/C17H21FN2O/c1-12(2)10-19-11-14-5-4-8-20-17(14)21-16-9-13(3)6-7-15(16)18/h4-9,12,19H,10-11H2,1-3H3
InChIKeyDWCSQAMLZMVCEQ-UHFFFAOYSA-N
XLogP4.07
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(4-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62323270
2-methyl-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62296801
[2-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methanamine
CID 64854594
N-[[2-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62296784
2-methyl-N-[[2-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62290330
2-(2-fluoro-5-methylphenoxy)pyridin-3-amine
CID 64855365
2-methyl-N-[(2-octoxy-3-pyridinyl)methyl]propan-1-amine
CID 63488126
2-[2-(2,5-difluorophenoxy)-3-pyridinyl]ethanamine
CID 114057573
N-methyl-N-(4-methylphenyl)-3-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62282701
1-(3,4-difluorophenyl)-2-[(2-methoxy-3-pyridinyl)methylamino]ethanol
CID 60908484
1-(2,5-difluorophenyl)-2-[(2-methoxy-3-pyridinyl)methylamino]ethanol
CID 60910476
(2S)-1-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol
CID 106931879

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine (CID 64854495) is N-[[2-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine is Cc1ccc(F)c(Oc2ncccc2CNCC(C)C)c1.
What is the InChIKey of N-[[2-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is DWCSQAMLZMVCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-12(2)10-19-11-14-5-4-8-20-17(14)21-16-9-13(3)6-7-15(16)18/h4-9,12,19H,10-11H2,1-3H3.
What are the key properties of N-[[2-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[2-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 288.37 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 64854495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).