2-(5-bromo-2-pyridinyl)-1-(3,4-difluorophenyl)-N-methylethanamine

C14H13BrF2N2 — CID 104801261

IUPAC2-(5-bromo-2-pyridinyl)-1-(3,4-difluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)cn1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H13BrF2N2/c1-18-14(7-11-4-3-10(15)8-19-11)9-2-5-12(16)13(17)6-9/h2-6,8,14,18H,7H2,1H3
InChIKeyZOHDLPTWRPWKPE-UHFFFAOYSA-N
MW327.17 g/mol
LogP3.63
Rot. Bonds4

About 2-(5-bromo-2-pyridinyl)-1-(3,4-difluorophenyl)-N-methylethanamine

2-(5-bromo-2-pyridinyl)-1-(3,4-difluorophenyl)-N-methylethanamine (PubChem CID 104801261) has the molecular formula C14H13BrF2N2 and a molecular weight of 327.17 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-1-(3,4-difluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-1-(3,4-difluorophenyl)-N-methylethanamine
PubChem CID104801261
Molecular FormulaC14H13BrF2N2
Molecular Weight327.17 g/mol
Exact Mass326.02
IUPAC Name2-(5-bromo-2-pyridinyl)-1-(3,4-difluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)cn1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H13BrF2N2/c1-18-14(7-11-4-3-10(15)8-19-11)9-2-5-12(16)13(17)6-9/h2-6,8,14,18H,7H2,1H3
InChIKeyZOHDLPTWRPWKPE-UHFFFAOYSA-N
XLogP3.63
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-3-fluorophenyl)-2-(5-bromo-2-pyridinyl)-N-ethylethanamine
CID 105036487
1-(2-bromo-3,4-difluorophenyl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine
CID 107539014
1,2-bis(5-bromo-2-pyridinyl)-N-methylethanamine
CID 104804023
2-(5-bromo-2-pyridinyl)-N-methyl-1-(4-methylsulfonylphenyl)ethanamine
CID 105036188
2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 79747809
1-(3-chloro-4-fluorophenyl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
CID 79748694
2-(5-ethyl-2-pyridinyl)-N-methyl-1-(3,4,5-trifluorophenyl)ethanamine
CID 79733087
1-(4-bromo-2-chlorophenyl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine
CID 105036045
2-(5-bromo-2-pyridinyl)-N-methyl-1-(4-methyl-2-pyridinyl)ethanamine
CID 104802107
2-(5-bromo-2-pyridinyl)-N-methyl-1-pyridin-2-ylethanamine
CID 113454817
1-(5-bromo-4-methylthiophen-2-yl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine
CID 105036072
1-(3,4-difluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 62802846

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(3,4-difluorophenyl)-N-methylethanamine?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(3,4-difluorophenyl)-N-methylethanamine (CID 104801261) is 2-(5-bromo-2-pyridinyl)-1-(3,4-difluorophenyl)-N-methylethanamine.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-1-(3,4-difluorophenyl)-N-methylethanamine?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-1-(3,4-difluorophenyl)-N-methylethanamine is CNC(Cc1ccc(Br)cn1)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-1-(3,4-difluorophenyl)-N-methylethanamine?
The InChIKey is ZOHDLPTWRPWKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrF2N2/c1-18-14(7-11-4-3-10(15)8-19-11)9-2-5-12(16)13(17)6-9/h2-6,8,14,18H,7H2,1H3.
What are the key properties of 2-(5-bromo-2-pyridinyl)-1-(3,4-difluorophenyl)-N-methylethanamine?
2-(5-bromo-2-pyridinyl)-1-(3,4-difluorophenyl)-N-methylethanamine has a molecular weight of 327.17 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-1-(3,4-difluorophenyl)-N-methylethanamine is sourced from PubChem (CID 104801261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).