5-bromo-4-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylaniline

C14H14BrFN2O — CID 107591882

IUPAC5-bromo-4-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylaniline
SMILESCOc1ncccc1CNc1cc(Br)c(F)cc1C
InChIInChI=1S/C14H14BrFN2O/c1-9-6-12(16)11(15)7-13(9)18-8-10-4-3-5-17-14(10)19-2/h3-7,18H,8H2,1-2H3
InChIKeyZVKWZAJWPRDGRX-UHFFFAOYSA-N
MW325.18 g/mol
LogP3.91
Rot. Bonds4

About 5-bromo-4-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylaniline

5-bromo-4-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylaniline (PubChem CID 107591882) has the molecular formula C14H14BrFN2O and a molecular weight of 325.18 g/mol. Its IUPAC name is 5-bromo-4-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylaniline.

Molecular Properties

Compound Name5-bromo-4-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylaniline
PubChem CID107591882
Molecular FormulaC14H14BrFN2O
Molecular Weight325.18 g/mol
Exact Mass324.03
IUPAC Name5-bromo-4-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylaniline
SMILESCOc1ncccc1CNc1cc(Br)c(F)cc1C
InChIInChI=1S/C14H14BrFN2O/c1-9-6-12(16)11(15)7-13(9)18-8-10-4-3-5-17-14(10)19-2/h3-7,18H,8H2,1-2H3
InChIKeyZVKWZAJWPRDGRX-UHFFFAOYSA-N
XLogP3.91
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.18
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-4-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylaniline
CID 114254628
5-bromo-4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylaniline
CID 107592012
3-fluoro-4-[(2-methoxy-3-pyridinyl)methylamino]benzenesulfonamide
CID 60733892
3-bromo-N-[(2-methoxy-3-pyridinyl)methyl]pyridin-4-amine
CID 104776820
2-fluoro-5-methoxy-N-[(2-methyl-3-pyridinyl)methyl]aniline
CID 75482762
5-bromo-N-[(2,5-difluorophenyl)methyl]-4-fluoro-2-methylaniline
CID 107591672
2-bromo-4-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]benzenesulfonamide
CID 61059679
4-bromo-2-[(2-methoxy-3-pyridinyl)methylamino]benzonitrile
CID 114905243
N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine
CID 102876282
5-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]-4-fluoro-2-methylaniline
CID 107591598
4-[(5-bromo-4-fluoro-2-methylanilino)methyl]benzene-1,3-diol
CID 103271230
5-bromo-4-fluoro-N-(isoquinolin-4-ylmethyl)-2-methylaniline
CID 107591636

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylaniline?
The IUPAC name of 5-bromo-4-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylaniline (CID 107591882) is 5-bromo-4-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylaniline.
What is the SMILES notation for 5-bromo-4-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylaniline?
The canonical SMILES for 5-bromo-4-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylaniline is COc1ncccc1CNc1cc(Br)c(F)cc1C.
What is the InChIKey of 5-bromo-4-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylaniline?
The InChIKey is ZVKWZAJWPRDGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O/c1-9-6-12(16)11(15)7-13(9)18-8-10-4-3-5-17-14(10)19-2/h3-7,18H,8H2,1-2H3.
What are the key properties of 5-bromo-4-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylaniline?
5-bromo-4-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylaniline has a molecular weight of 325.18 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylaniline is sourced from PubChem (CID 107591882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).