1-(3-bromo-2,6-difluorophenyl)-N-methyl-2-pyridin-4-ylethanamine

C14H13BrF2N2 — CID 106942393

IUPAC1-(3-bromo-2,6-difluorophenyl)-N-methyl-2-pyridin-4-ylethanamine
SMILESCNC(Cc1ccncc1)c1c(F)ccc(Br)c1F
InChIInChI=1S/C14H13BrF2N2/c1-18-12(8-9-4-6-19-7-5-9)13-11(16)3-2-10(15)14(13)17/h2-7,12,18H,8H2,1H3
InChIKeyVGRWSCJUNLJKSD-UHFFFAOYSA-N
MW327.17 g/mol
LogP3.63
Rot. Bonds4

About 1-(3-bromo-2,6-difluorophenyl)-N-methyl-2-pyridin-4-ylethanamine

1-(3-bromo-2,6-difluorophenyl)-N-methyl-2-pyridin-4-ylethanamine (PubChem CID 106942393) 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-2-pyridin-4-ylethanamine.

Molecular Properties

Compound Name1-(3-bromo-2,6-difluorophenyl)-N-methyl-2-pyridin-4-ylethanamine
PubChem CID106942393
Molecular FormulaC14H13BrF2N2
Molecular Weight327.17 g/mol
Exact Mass326.02
IUPAC Name1-(3-bromo-2,6-difluorophenyl)-N-methyl-2-pyridin-4-ylethanamine
SMILESCNC(Cc1ccncc1)c1c(F)ccc(Br)c1F
InChIInChI=1S/C14H13BrF2N2/c1-18-12(8-9-4-6-19-7-5-9)13-11(16)3-2-10(15)14(13)17/h2-7,12,18H,8H2,1H3
InChIKeyVGRWSCJUNLJKSD-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

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-difluoro-3-methylphenyl)-N-methyl-2-pyridin-4-ylethanamine
CID 82814614
1-(3-bromo-2,6-difluorophenyl)-2-(3,4-difluorophenyl)-N-methylethanamine
CID 106944913
1-(3-bromo-2,6-difluorophenyl)-N-methyl-2-methylsulfanylethanamine
CID 106942409
[1-(2,6-difluoro-3-methylphenyl)-2-pyridin-4-ylethyl]hydrazine
CID 105212355
1-(3-bromo-2-pyridinyl)-N-methyl-2-pyridin-4-ylethanamine
CID 113398487
1-(3-bromo-2,6-difluorophenyl)-2-cyclobutyl-N-methylethanamine
CID 106944871
1-(4-bromo-3-chlorophenyl)-N-methyl-2-pyridin-4-ylethanamine
CID 81294947
1-(3-bromo-2,6-difluorophenyl)-3-pyridin-4-ylpropan-2-ol
CID 106266424
1-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(3-methyl-4-pyridinyl)methanamine
CID 106942954
2-(4-chlorophenyl)-N-methyl-1-pyridin-4-ylethanamine
CID 60819195
1-(3-bromo-2-fluorophenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 106645338
4-[2-chloro-2-(2,6-difluoro-3-methylphenyl)ethyl]pyridine
CID 82818631

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-N-methyl-2-pyridin-4-ylethanamine?
The IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-N-methyl-2-pyridin-4-ylethanamine (CID 106942393) is 1-(3-bromo-2,6-difluorophenyl)-N-methyl-2-pyridin-4-ylethanamine.
What is the SMILES notation for 1-(3-bromo-2,6-difluorophenyl)-N-methyl-2-pyridin-4-ylethanamine?
The canonical SMILES for 1-(3-bromo-2,6-difluorophenyl)-N-methyl-2-pyridin-4-ylethanamine is CNC(Cc1ccncc1)c1c(F)ccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2,6-difluorophenyl)-N-methyl-2-pyridin-4-ylethanamine?
The InChIKey is VGRWSCJUNLJKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrF2N2/c1-18-12(8-9-4-6-19-7-5-9)13-11(16)3-2-10(15)14(13)17/h2-7,12,18H,8H2,1H3.
What are the key properties of 1-(3-bromo-2,6-difluorophenyl)-N-methyl-2-pyridin-4-ylethanamine?
1-(3-bromo-2,6-difluorophenyl)-N-methyl-2-pyridin-4-ylethanamine 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 1-(3-bromo-2,6-difluorophenyl)-N-methyl-2-pyridin-4-ylethanamine is sourced from PubChem (CID 106942393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).