1-[2-(4-bromo-2-methylphenoxy)-3-fluoro-4-pyridinyl]-N-methylmethanamine

C14H14BrFN2O — CID 105391454

IUPAC1-[2-(4-bromo-2-methylphenoxy)-3-fluoro-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccnc(Oc2ccc(Br)cc2C)c1F
InChIInChI=1S/C14H14BrFN2O/c1-9-7-11(15)3-4-12(9)19-14-13(16)10(8-17-2)5-6-18-14/h3-7,17H,8H2,1-2H3
InChIKeyJNJNTFDSNHRJMM-UHFFFAOYSA-N
MW325.18 g/mol
LogP3.80
Rot. Bonds4

About 1-[2-(4-bromo-2-methylphenoxy)-3-fluoro-4-pyridinyl]-N-methylmethanamine

1-[2-(4-bromo-2-methylphenoxy)-3-fluoro-4-pyridinyl]-N-methylmethanamine (PubChem CID 105391454) has the molecular formula C14H14BrFN2O and a molecular weight of 325.18 g/mol. Its IUPAC name is 1-[2-(4-bromo-2-methylphenoxy)-3-fluoro-4-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(4-bromo-2-methylphenoxy)-3-fluoro-4-pyridinyl]-N-methylmethanamine
PubChem CID105391454
Molecular FormulaC14H14BrFN2O
Molecular Weight325.18 g/mol
Exact Mass324.03
IUPAC Name1-[2-(4-bromo-2-methylphenoxy)-3-fluoro-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccnc(Oc2ccc(Br)cc2C)c1F
InChIInChI=1S/C14H14BrFN2O/c1-9-7-11(15)3-4-12(9)19-14-13(16)10(8-17-2)5-6-18-14/h3-7,17H,8H2,1-2H3
InChIKeyJNJNTFDSNHRJMM-UHFFFAOYSA-N
XLogP3.80
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.18
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3,5-dimethoxyphenoxy)-3-fluoro-4-pyridinyl]-N-methylmethanamine
CID 105391016
1-[2-(2,3-difluorophenoxy)-3-fluoro-4-pyridinyl]-N-methylmethanamine
CID 105391448
1-[3-fluoro-2-(3-methyl-4-propan-2-ylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 105391129
1-[6-(4-bromo-2-methylphenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80633834
1-(3-fluoro-2-propoxy-4-pyridinyl)-N-methylmethanamine
CID 105390997
N-[[3-fluoro-2-(2-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105391185
1-(3-fluoro-2-hexoxy-4-pyridinyl)-N-methylmethanamine
CID 105390952
[2-(2-bromo-4-methylphenoxy)-3-fluoro-4-pyridinyl]methanamine
CID 105391301
N-[[3-fluoro-2-(5-fluoro-2-methylphenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 102985597
N-[[2-(3,4-dimethylphenoxy)-3-fluoro-4-pyridinyl]methyl]ethanamine
CID 105391166
1-[5-bromo-2-(3-fluoropropoxy)phenyl]-N-methylmethanamine
CID 81105522
3-(4-bromo-2-methylphenoxy)-1H-pyrazin-2-one
CID 114570737

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromo-2-methylphenoxy)-3-fluoro-4-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(4-bromo-2-methylphenoxy)-3-fluoro-4-pyridinyl]-N-methylmethanamine (CID 105391454) is 1-[2-(4-bromo-2-methylphenoxy)-3-fluoro-4-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(4-bromo-2-methylphenoxy)-3-fluoro-4-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(4-bromo-2-methylphenoxy)-3-fluoro-4-pyridinyl]-N-methylmethanamine is CNCc1ccnc(Oc2ccc(Br)cc2C)c1F.
What is the InChIKey of 1-[2-(4-bromo-2-methylphenoxy)-3-fluoro-4-pyridinyl]-N-methylmethanamine?
The InChIKey is JNJNTFDSNHRJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O/c1-9-7-11(15)3-4-12(9)19-14-13(16)10(8-17-2)5-6-18-14/h3-7,17H,8H2,1-2H3.
What are the key properties of 1-[2-(4-bromo-2-methylphenoxy)-3-fluoro-4-pyridinyl]-N-methylmethanamine?
1-[2-(4-bromo-2-methylphenoxy)-3-fluoro-4-pyridinyl]-N-methylmethanamine has a molecular weight of 325.18 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromo-2-methylphenoxy)-3-fluoro-4-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 105391454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).