N-[[3-(3-bromo-5-fluorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine

C16H18BrFN2O — CID 105075842

IUPACN-[[3-(3-bromo-5-fluorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccncc1Oc1cc(F)cc(Br)c1
InChIInChI=1S/C16H18BrFN2O/c1-16(2,3)20-9-11-4-5-19-10-15(11)21-14-7-12(17)6-13(18)8-14/h4-8,10,20H,9H2,1-3H3
InChIKeyAEPZGCHVHNYNOL-UHFFFAOYSA-N
MW353.24 g/mol
LogP4.66
Rot. Bonds4

About N-[[3-(3-bromo-5-fluorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine

N-[[3-(3-bromo-5-fluorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 105075842) has the molecular formula C16H18BrFN2O and a molecular weight of 353.24 g/mol. Its IUPAC name is N-[[3-(3-bromo-5-fluorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-(3-bromo-5-fluorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID105075842
Molecular FormulaC16H18BrFN2O
Molecular Weight353.24 g/mol
Exact Mass352.06
IUPAC NameN-[[3-(3-bromo-5-fluorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccncc1Oc1cc(F)cc(Br)c1
InChIInChI=1S/C16H18BrFN2O/c1-16(2,3)20-9-11-4-5-19-10-15(11)21-14-7-12(17)6-13(18)8-14/h4-8,10,20H,9H2,1-3H3
InChIKeyAEPZGCHVHNYNOL-UHFFFAOYSA-N
XLogP4.66
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.24
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[3-(4-methylsulfanylphenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 105075661
N-[[4-(3-bromophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 81250294
2-methyl-N-[[3-[(6-methyl-3-pyridinyl)oxy]-4-pyridinyl]methyl]propan-2-amine
CID 105074816
N-[[4-(3-bromo-5-fluorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81326386
N-[[4-(4-bromo-3-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 81254260
2-methyl-N-[[3-(2-methylphenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 105075329
2-methyl-N-[[3-(2,2,3,3-tetrafluoropropoxy)-4-pyridinyl]methyl]propan-2-amine
CID 105075003
1-[5-bromo-2-(3-bromo-5-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 81325924
8-(3-bromo-5-fluorophenoxy)isoquinolin-5-amine
CID 103140084
N-[[3-(3-bromophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105075392
2-(3-bromo-5-fluorophenoxy)pyrazine
CID 81331552
4-(3-bromo-5-fluorophenoxy)-N-ethylpyridin-2-amine
CID 113368173

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-bromo-5-fluorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-(3-bromo-5-fluorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine (CID 105075842) is N-[[3-(3-bromo-5-fluorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-(3-bromo-5-fluorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-(3-bromo-5-fluorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1ccncc1Oc1cc(F)cc(Br)c1.
What is the InChIKey of N-[[3-(3-bromo-5-fluorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is AEPZGCHVHNYNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrFN2O/c1-16(2,3)20-9-11-4-5-19-10-15(11)21-14-7-12(17)6-13(18)8-14/h4-8,10,20H,9H2,1-3H3.
What are the key properties of N-[[3-(3-bromo-5-fluorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[3-(3-bromo-5-fluorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 353.24 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-bromo-5-fluorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 105075842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).