N-[[3-[(5-bromo-2-fluorophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]ethanamine

C16H18BrFN2O — CID 79157307

IUPACN-[[3-[(5-bromo-2-fluorophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1nc(C)ccc1OCc1cc(Br)ccc1F
InChIInChI=1S/C16H18BrFN2O/c1-3-19-9-15-16(7-4-11(2)20-15)21-10-12-8-13(17)5-6-14(12)18/h4-8,19H,3,9-10H2,1-2H3
InChIKeySQJISQSIEPVHNR-UHFFFAOYSA-N
MW353.24 g/mol
LogP3.98
Rot. Bonds6

About N-[[3-[(5-bromo-2-fluorophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]ethanamine

N-[[3-[(5-bromo-2-fluorophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]ethanamine (PubChem CID 79157307) has the molecular formula C16H18BrFN2O and a molecular weight of 353.24 g/mol. Its IUPAC name is N-[[3-[(5-bromo-2-fluorophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[(5-bromo-2-fluorophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]ethanamine
PubChem CID79157307
Molecular FormulaC16H18BrFN2O
Molecular Weight353.24 g/mol
Exact Mass352.06
IUPAC NameN-[[3-[(5-bromo-2-fluorophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1nc(C)ccc1OCc1cc(Br)ccc1F
InChIInChI=1S/C16H18BrFN2O/c1-3-19-9-15-16(7-4-11(2)20-15)21-10-12-8-13(17)5-6-14(12)18/h4-8,19H,3,9-10H2,1-2H3
InChIKeySQJISQSIEPVHNR-UHFFFAOYSA-N
XLogP3.98
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.24
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-[(5-bromo-2-fluorophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(5-bromo-2-fluorophenyl)methoxy]-2-(chloromethyl)-6-methylpyridine
CID 79168706
N-[[3-[(4-bromophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]ethanamine
CID 79151204
N-[[3-[(3-bromophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]ethanamine
CID 79151447
N-[[6-methyl-3-(pyrimidin-2-ylmethoxy)-2-pyridinyl]methyl]ethanamine
CID 79150991
N-[[3-[(3-chlorophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]ethanamine
CID 79151507
N-[[3-[(4-bromophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]propan-1-amine
CID 79157715
N-[[2-[(5-bromo-2-fluorophenoxy)methyl]phenyl]methyl]ethanamine
CID 114676831
N-[[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]methyl]ethanamine
CID 79150512
1-[(5-bromo-2-fluorophenyl)methoxy]-2,4-dimethylbenzene
CID 64763343
N-[[5-bromo-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]ethanamine
CID 103175461
N-[[3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-6-methyl-2-pyridinyl]methyl]ethanamine
CID 79151442
1-[5-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanol
CID 63533682

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(5-bromo-2-fluorophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[3-[(5-bromo-2-fluorophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]ethanamine (CID 79157307) is N-[[3-[(5-bromo-2-fluorophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[(5-bromo-2-fluorophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[3-[(5-bromo-2-fluorophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]ethanamine is CCNCc1nc(C)ccc1OCc1cc(Br)ccc1F.
What is the InChIKey of N-[[3-[(5-bromo-2-fluorophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]ethanamine?
The InChIKey is SQJISQSIEPVHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrFN2O/c1-3-19-9-15-16(7-4-11(2)20-15)21-10-12-8-13(17)5-6-14(12)18/h4-8,19H,3,9-10H2,1-2H3.
What are the key properties of N-[[3-[(5-bromo-2-fluorophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]ethanamine?
N-[[3-[(5-bromo-2-fluorophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]ethanamine has a molecular weight of 353.24 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(5-bromo-2-fluorophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 79157307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).