1-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(3-methyl-4-pyridinyl)methanamine

C14H13BrF2N2 — CID 106942954

IUPAC1-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(3-methyl-4-pyridinyl)methanamine
SMILESCNC(c1ccncc1C)c1c(F)ccc(Br)c1F
InChIInChI=1S/C14H13BrF2N2/c1-8-7-19-6-5-9(8)14(18-2)12-11(16)4-3-10(15)13(12)17/h3-7,14,18H,1-2H3
InChIKeyKJDAVDWEFZODAQ-UHFFFAOYSA-N
MW327.17 g/mol
LogP3.74
Rot. Bonds3

About 1-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(3-methyl-4-pyridinyl)methanamine

1-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(3-methyl-4-pyridinyl)methanamine (PubChem CID 106942954) has the molecular formula C14H13BrF2N2 and a molecular weight of 327.17 g/mol. Its IUPAC name is 1-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(3-methyl-4-pyridinyl)methanamine.

Molecular Properties

Compound Name1-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(3-methyl-4-pyridinyl)methanamine
PubChem CID106942954
Molecular FormulaC14H13BrF2N2
Molecular Weight327.17 g/mol
Exact Mass326.02
IUPAC Name1-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(3-methyl-4-pyridinyl)methanamine
SMILESCNC(c1ccncc1C)c1c(F)ccc(Br)c1F
InChIInChI=1S/C14H13BrF2N2/c1-8-7-19-6-5-9(8)14(18-2)12-11(16)4-3-10(15)13(12)17/h3-7,14,18H,1-2H3
InChIKeyKJDAVDWEFZODAQ-UHFFFAOYSA-N
XLogP3.74
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromo-2,6-difluorophenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 106944665
1-(2-bromo-6-fluorophenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 114887123
N-[(3-bromo-2,6-difluorophenyl)-(3-chloro-4-pyridinyl)methyl]ethanamine
CID 106944470
1-(3-bromo-2,6-difluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
CID 106942832
1-(2,5-dibromo-4-methylphenyl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine
CID 82797769
1-(3-bromo-2,6-difluorophenyl)-1-(2-chloro-4-fluorophenyl)-N-methylmethanamine
CID 106942434
[(3-bromo-2,6-difluorophenyl)-(2-methylphenyl)methyl]hydrazine
CID 106945251
1,1-bis(2,6-difluoro-3-methylphenyl)-N-methylmethanamine
CID 105027228
1-(3-bromo-2,6-difluorophenyl)-N-methyl-2-pyridin-4-ylethanamine
CID 106942393
1-(2-bromo-5-methoxyphenyl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine
CID 105175928
1-(1-benzofuran-3-yl)-1-(3-bromo-2,6-difluorophenyl)-N-methylmethanamine
CID 106942961
[(3-bromo-2,6-difluorophenyl)-pyrazin-2-ylmethyl]hydrazine
CID 106945260

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(3-methyl-4-pyridinyl)methanamine?
The IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(3-methyl-4-pyridinyl)methanamine (CID 106942954) is 1-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(3-methyl-4-pyridinyl)methanamine.
What is the SMILES notation for 1-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(3-methyl-4-pyridinyl)methanamine?
The canonical SMILES for 1-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(3-methyl-4-pyridinyl)methanamine is CNC(c1ccncc1C)c1c(F)ccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(3-methyl-4-pyridinyl)methanamine?
The InChIKey is KJDAVDWEFZODAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrF2N2/c1-8-7-19-6-5-9(8)14(18-2)12-11(16)4-3-10(15)13(12)17/h3-7,14,18H,1-2H3.
What are the key properties of 1-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(3-methyl-4-pyridinyl)methanamine?
1-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(3-methyl-4-pyridinyl)methanamine has a molecular weight of 327.17 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(3-methyl-4-pyridinyl)methanamine is sourced from PubChem (CID 106942954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).