1-[3-[(2-bromo-4-fluorophenyl)methoxy]-6-methyl-2-pyridinyl]propan-2-amine

C16H18BrFN2O — CID 79164686

IUPAC1-[3-[(2-bromo-4-fluorophenyl)methoxy]-6-methyl-2-pyridinyl]propan-2-amine
SMILESCc1ccc(OCc2ccc(F)cc2Br)c(CC(C)N)n1
InChIInChI=1S/C16H18BrFN2O/c1-10(19)7-15-16(6-3-11(2)20-15)21-9-12-4-5-13(18)8-14(12)17/h3-6,8,10H,7,9,19H2,1-2H3
InChIKeyZSZDPPZDNVWSMI-UHFFFAOYSA-N
MW353.24 g/mol
LogP3.76
Rot. Bonds5

About 1-[3-[(2-bromo-4-fluorophenyl)methoxy]-6-methyl-2-pyridinyl]propan-2-amine

1-[3-[(2-bromo-4-fluorophenyl)methoxy]-6-methyl-2-pyridinyl]propan-2-amine (PubChem CID 79164686) has the molecular formula C16H18BrFN2O and a molecular weight of 353.24 g/mol. Its IUPAC name is 1-[3-[(2-bromo-4-fluorophenyl)methoxy]-6-methyl-2-pyridinyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-[(2-bromo-4-fluorophenyl)methoxy]-6-methyl-2-pyridinyl]propan-2-amine
PubChem CID79164686
Molecular FormulaC16H18BrFN2O
Molecular Weight353.24 g/mol
Exact Mass352.06
IUPAC Name1-[3-[(2-bromo-4-fluorophenyl)methoxy]-6-methyl-2-pyridinyl]propan-2-amine
SMILESCc1ccc(OCc2ccc(F)cc2Br)c(CC(C)N)n1
InChIInChI=1S/C16H18BrFN2O/c1-10(19)7-15-16(6-3-11(2)20-15)21-9-12-4-5-13(18)8-14(12)17/h3-6,8,10H,7,9,19H2,1-2H3
InChIKeyZSZDPPZDNVWSMI-UHFFFAOYSA-N
XLogP3.76
TPSA48.14 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 ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[(2,4-difluorophenyl)methoxy]-6-methyl-2-pyridinyl]propan-2-amine
CID 79164687
1-[3-[(3-fluorophenyl)methoxy]-6-methyl-2-pyridinyl]propan-2-amine
CID 79169165
1-[3-bromo-4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 63421985
1-[3-[(4-bromothiophen-2-yl)methoxy]-6-methyl-2-pyridinyl]propan-2-amine
CID 79169585
1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 60908405
2-(bromomethyl)-3-[(2,4-difluorophenyl)methoxy]-6-methylpyridine
CID 79168878
(1R)-1-[2-[(2-bromo-4-fluorophenyl)methoxy]-4-methylphenyl]ethanamine
CID 78947233
1-(6-methyl-3-propoxy-2-pyridinyl)propan-2-amine
CID 79168995
1-[2-[(2-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine
CID 115958703
1-[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]propan-2-amine
CID 79169247
1-[6-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methoxy]-2-pyridinyl]propan-2-amine
CID 79169332
1-[5-bromo-2-[(2,4-difluorophenyl)methoxy]phenyl]propan-2-amine
CID 62196738

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-bromo-4-fluorophenyl)methoxy]-6-methyl-2-pyridinyl]propan-2-amine?
The IUPAC name of 1-[3-[(2-bromo-4-fluorophenyl)methoxy]-6-methyl-2-pyridinyl]propan-2-amine (CID 79164686) is 1-[3-[(2-bromo-4-fluorophenyl)methoxy]-6-methyl-2-pyridinyl]propan-2-amine.
What is the SMILES notation for 1-[3-[(2-bromo-4-fluorophenyl)methoxy]-6-methyl-2-pyridinyl]propan-2-amine?
The canonical SMILES for 1-[3-[(2-bromo-4-fluorophenyl)methoxy]-6-methyl-2-pyridinyl]propan-2-amine is Cc1ccc(OCc2ccc(F)cc2Br)c(CC(C)N)n1.
What is the InChIKey of 1-[3-[(2-bromo-4-fluorophenyl)methoxy]-6-methyl-2-pyridinyl]propan-2-amine?
The InChIKey is ZSZDPPZDNVWSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrFN2O/c1-10(19)7-15-16(6-3-11(2)20-15)21-9-12-4-5-13(18)8-14(12)17/h3-6,8,10H,7,9,19H2,1-2H3.
What are the key properties of 1-[3-[(2-bromo-4-fluorophenyl)methoxy]-6-methyl-2-pyridinyl]propan-2-amine?
1-[3-[(2-bromo-4-fluorophenyl)methoxy]-6-methyl-2-pyridinyl]propan-2-amine has a molecular weight of 353.24 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-bromo-4-fluorophenyl)methoxy]-6-methyl-2-pyridinyl]propan-2-amine is sourced from PubChem (CID 79164686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).