N-[[6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine

C17H21FN2O — CID 64853702

IUPACN-[[6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCc1ccc(F)c(Oc2ccc(CNC(C)(C)C)cn2)c1
InChIInChI=1S/C17H21FN2O/c1-12-5-7-14(18)15(9-12)21-16-8-6-13(10-19-16)11-20-17(2,3)4/h5-10,20H,11H2,1-4H3
InChIKeyUSUJMYSXAKWDIX-UHFFFAOYSA-N
MW288.37 g/mol
LogP4.21
Rot. Bonds4

About N-[[6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine

N-[[6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 64853702) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is N-[[6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID64853702
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC NameN-[[6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCc1ccc(F)c(Oc2ccc(CNC(C)(C)C)cn2)c1
InChIInChI=1S/C17H21FN2O/c1-12-5-7-14(18)15(9-12)21-16-8-6-13(10-19-16)11-20-17(2,3)4/h5-10,20H,11H2,1-4H3
InChIKeyUSUJMYSXAKWDIX-UHFFFAOYSA-N
XLogP4.21
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 64853314
N-[[5-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
CID 107382234
N-[[4-(2-fluoro-5-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 64854465
N-[[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 63216590
N-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 116689541
N-[(6-methoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62292084
N-[[6-(2,5-difluorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 63273316
1-[6-(2,4-dimethylphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 55058595
N-[[5-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methyl]ethanamine
CID 107382235
N-[[2-(2,4-dimethylphenoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62296390
N-[[5-chloro-2-(2-fluoro-5-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 114928781
2-cyano-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-methylpropanamide
CID 60530398

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine (CID 64853702) is N-[[6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine is Cc1ccc(F)c(Oc2ccc(CNC(C)(C)C)cn2)c1.
What is the InChIKey of N-[[6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is USUJMYSXAKWDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-12-5-7-14(18)15(9-12)21-16-8-6-13(10-19-16)11-20-17(2,3)4/h5-10,20H,11H2,1-4H3.
What are the key properties of N-[[6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 288.37 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 64853702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).