1-(4-bromo-3-fluorophenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine

C15H16BrFN2O — CID 105026336

IUPAC1-(4-bromo-3-fluorophenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine
SMILESCCOc1cncc(C(NC)c2ccc(Br)c(F)c2)c1
InChIInChI=1S/C15H16BrFN2O/c1-3-20-12-6-11(8-19-9-12)15(18-2)10-4-5-13(16)14(17)7-10/h4-9,15,18H,3H2,1-2H3
InChIKeyISTMBOJVLGZGRQ-UHFFFAOYSA-N
MW339.21 g/mol
LogP3.69
Rot. Bonds5

About 1-(4-bromo-3-fluorophenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine

1-(4-bromo-3-fluorophenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine (PubChem CID 105026336) has the molecular formula C15H16BrFN2O and a molecular weight of 339.21 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine
PubChem CID105026336
Molecular FormulaC15H16BrFN2O
Molecular Weight339.21 g/mol
Exact Mass338.04
IUPAC Name1-(4-bromo-3-fluorophenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine
SMILESCCOc1cncc(C(NC)c2ccc(Br)c(F)c2)c1
InChIInChI=1S/C15H16BrFN2O/c1-3-20-12-6-11(8-19-9-12)15(18-2)10-4-5-13(16)14(17)7-10/h4-9,15,18H,3H2,1-2H3
InChIKeyISTMBOJVLGZGRQ-UHFFFAOYSA-N
XLogP3.69
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.21
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-3-fluorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 105022189
(4-bromo-3-fluorophenyl)-(5-ethoxy-3-pyridinyl)methanamine
CID 105026649
1-(3-bromo-4-ethoxyphenyl)-1-(4-bromo-3-fluorophenyl)-N-methylmethanamine
CID 104657518
1-(4-chloro-3-fluorophenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 107994842
1-(3-chloro-4-iodophenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine
CID 103216066
1-(3,5-dimethylphenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine
CID 105026319
N-[(2-bromo-6-fluorophenyl)-(5-ethoxy-3-pyridinyl)methyl]ethanamine
CID 114887267
N-[(2,5-dibromophenyl)-(5-ethoxy-3-pyridinyl)methyl]ethanamine
CID 105026527
1-(4-bromo-3-fluorophenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 115851527
[(2-bromo-5-methylphenyl)-(5-ethoxy-3-pyridinyl)methyl]hydrazine
CID 105330014
N-[(2-bromo-5-methylphenyl)-(5-ethoxy-3-pyridinyl)methyl]ethanamine
CID 105026416
[(3-bromo-4-fluorophenyl)-(5-propoxy-3-pyridinyl)methyl]hydrazine
CID 105264229

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine (CID 105026336) is 1-(4-bromo-3-fluorophenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine is CCOc1cncc(C(NC)c2ccc(Br)c(F)c2)c1.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine?
The InChIKey is ISTMBOJVLGZGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2O/c1-3-20-12-6-11(8-19-9-12)15(18-2)10-4-5-13(16)14(17)7-10/h4-9,15,18H,3H2,1-2H3.
What are the key properties of 1-(4-bromo-3-fluorophenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine?
1-(4-bromo-3-fluorophenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine has a molecular weight of 339.21 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-fluorophenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 105026336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).