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

C13H11BrF2N2 — CID 43482882

IUPAC1-(5-bromo-3-pyridinyl)-1-(2,5-difluorophenyl)-N-methylmethanamine
SMILESCNC(c1cncc(Br)c1)c1cc(F)ccc1F
InChIInChI=1S/C13H11BrF2N2/c1-17-13(8-4-9(14)7-18-6-8)11-5-10(15)2-3-12(11)16/h2-7,13,17H,1H3
InChIKeyJPLYDDVDLYUYLV-UHFFFAOYSA-N
MW313.15 g/mol
LogP3.43
Rot. Bonds3

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

1-(5-bromo-3-pyridinyl)-1-(2,5-difluorophenyl)-N-methylmethanamine (PubChem CID 43482882) has the molecular formula C13H11BrF2N2 and a molecular weight of 313.15 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-1-(2,5-difluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-1-(2,5-difluorophenyl)-N-methylmethanamine
PubChem CID43482882
Molecular FormulaC13H11BrF2N2
Molecular Weight313.15 g/mol
Exact Mass312.01
IUPAC Name1-(5-bromo-3-pyridinyl)-1-(2,5-difluorophenyl)-N-methylmethanamine
SMILESCNC(c1cncc(Br)c1)c1cc(F)ccc1F
InChIInChI=1S/C13H11BrF2N2/c1-17-13(8-4-9(14)7-18-6-8)11-5-10(15)2-3-12(11)16/h2-7,13,17H,1H3
InChIKeyJPLYDDVDLYUYLV-UHFFFAOYSA-N
XLogP3.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.15
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-3-pyridinyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
CID 43486642
1-(5-bromo-2-fluorophenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 43482895
1-(2,5-difluorophenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 43482905
1-(4-bromo-3-chlorophenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 81291376
1-(5-bromo-3-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708381
1-(4-bromo-2-methoxyphenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 115368888
N-[(5-bromo-3-pyridinyl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
CID 43492196
1-(3-bromo-5-chlorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 107945193
1-[4-bromo-2-(trifluoromethyl)phenyl]-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 62688972
1-(5-bromo-3-pyridinyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 43482761
1-[4-(aminomethyl)phenyl]-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 116952228
1-(5-bromo-3-pyridinyl)-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine
CID 43626726

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-1-(2,5-difluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-1-(2,5-difluorophenyl)-N-methylmethanamine (CID 43482882) is 1-(5-bromo-3-pyridinyl)-1-(2,5-difluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-1-(2,5-difluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-1-(2,5-difluorophenyl)-N-methylmethanamine is CNC(c1cncc(Br)c1)c1cc(F)ccc1F.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-1-(2,5-difluorophenyl)-N-methylmethanamine?
The InChIKey is JPLYDDVDLYUYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF2N2/c1-17-13(8-4-9(14)7-18-6-8)11-5-10(15)2-3-12(11)16/h2-7,13,17H,1H3.
What are the key properties of 1-(5-bromo-3-pyridinyl)-1-(2,5-difluorophenyl)-N-methylmethanamine?
1-(5-bromo-3-pyridinyl)-1-(2,5-difluorophenyl)-N-methylmethanamine has a molecular weight of 313.15 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-1-(2,5-difluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 43482882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).