N-[[2-(2-bromo-4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine

C16H18BrFN2O — CID 62296558

IUPACN-[[2-(2-bromo-4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1c(C)cc(C)nc1Oc1ccc(F)cc1Br
InChIInChI=1S/C16H18BrFN2O/c1-4-19-9-13-10(2)7-11(3)20-16(13)21-15-6-5-12(18)8-14(15)17/h5-8,19H,4,9H2,1-3H3
InChIKeyOODPNKHJOOTGMQ-UHFFFAOYSA-N
MW353.24 g/mol
LogP4.50
Rot. Bonds5

About N-[[2-(2-bromo-4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine

N-[[2-(2-bromo-4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine (PubChem CID 62296558) has the molecular formula C16H18BrFN2O and a molecular weight of 353.24 g/mol. Its IUPAC name is N-[[2-(2-bromo-4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-bromo-4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine
PubChem CID62296558
Molecular FormulaC16H18BrFN2O
Molecular Weight353.24 g/mol
Exact Mass352.06
IUPAC NameN-[[2-(2-bromo-4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1c(C)cc(C)nc1Oc1ccc(F)cc1Br
InChIInChI=1S/C16H18BrFN2O/c1-4-19-9-13-10(2)7-11(3)20-16(13)21-15-6-5-12(18)8-14(15)17/h5-8,19H,4,9H2,1-3H3
InChIKeyOODPNKHJOOTGMQ-UHFFFAOYSA-N
XLogP4.50
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.24
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-(2-bromo-4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine with MolForge

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Related Compounds

N-[[2-(4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine
CID 62296113
N-[[2-(2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine
CID 62297821
N-[[4-(2-bromo-4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]ethanamine
CID 81254110
[2-(2-bromo-4-chlorophenoxy)-4,6-dimethyl-3-pyridinyl]methanol
CID 61256518
2-(2-bromo-4-methylphenoxy)-3-(chloromethyl)-4,6-dimethylpyridine
CID 63446420
N-[[2-(3-ethylphenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine
CID 62296699
[2-(2-bromo-4-methoxyphenoxy)-4,6-dimethyl-3-pyridinyl]methanamine
CID 104706382
1-[2-(3-bromo-4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine
CID 83234904
6-(2-bromo-4-fluorophenoxy)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80988469
N-[[2-(2-methoxyethoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine
CID 62292538
N-[(4,6-dimethyl-2-prop-2-enoxy-3-pyridinyl)methyl]ethanamine
CID 62288244
[2-(4-bromo-2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methanamine
CID 61175759

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-bromo-4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-bromo-4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine (CID 62296558) is N-[[2-(2-bromo-4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-bromo-4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-bromo-4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine is CCNCc1c(C)cc(C)nc1Oc1ccc(F)cc1Br.
What is the InChIKey of N-[[2-(2-bromo-4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine?
The InChIKey is OODPNKHJOOTGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrFN2O/c1-4-19-9-13-10(2)7-11(3)20-16(13)21-15-6-5-12(18)8-14(15)17/h5-8,19H,4,9H2,1-3H3.
What are the key properties of N-[[2-(2-bromo-4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine?
N-[[2-(2-bromo-4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine has a molecular weight of 353.24 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-bromo-4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 62296558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).