5-bromo-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridin-3-amine

C15H14BrF3N2O2 — CID 133318043

IUPAC5-bromo-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridin-3-amine
SMILESCOc1cc(CNc2cncc(Br)c2)ccc1OCC(F)(F)F
InChIInChI=1S/C15H14BrF3N2O2/c1-22-14-4-10(2-3-13(14)23-9-15(17,18)19)6-21-12-5-11(16)7-20-8-12/h2-5,7-8,21H,6,9H2,1H3
InChIKeyXYHJKOSZSYRRKG-UHFFFAOYSA-N
MW391.19 g/mol
LogP4.41
Rot. Bonds6

About 5-bromo-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridin-3-amine

5-bromo-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridin-3-amine (PubChem CID 133318043) has the molecular formula C15H14BrF3N2O2 and a molecular weight of 391.19 g/mol. Its IUPAC name is 5-bromo-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridin-3-amine
PubChem CID133318043
Molecular FormulaC15H14BrF3N2O2
Molecular Weight391.19 g/mol
Exact Mass390.02
IUPAC Name5-bromo-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridin-3-amine
SMILESCOc1cc(CNc2cncc(Br)c2)ccc1OCC(F)(F)F
InChIInChI=1S/C15H14BrF3N2O2/c1-22-14-4-10(2-3-13(14)23-9-15(17,18)19)6-21-12-5-11(16)7-20-8-12/h2-5,7-8,21H,6,9H2,1H3
InChIKeyXYHJKOSZSYRRKG-UHFFFAOYSA-N
XLogP4.41
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.19
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazol-4-amine
CID 19625865
2-methoxy-5-[[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]methyl]phenol
CID 78885021
4-(bromomethyl)-2-methoxy-1-(2,2,2-trifluoroethoxy)benzene
CID 43141747
4-bromo-5-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]-2-methylpyridazin-3-one
CID 133303550
1-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-N-methylmethanamine
CID 43278729
N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 133318041
[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine
CID 16776854
5-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpyridin-2-amine
CID 133373882
N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110916050
N-[(3-bromo-4-methoxyphenyl)methyl]-6-fluoropyridin-3-amine
CID 103825840
4-[[(5-fluoro-3-pyridinyl)amino]methyl]-2-methoxyphenol
CID 114254373
N-(1H-imidazol-2-ylmethyl)-1-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine
CID 119111095

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridin-3-amine?
The IUPAC name of 5-bromo-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridin-3-amine (CID 133318043) is 5-bromo-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridin-3-amine.
What is the SMILES notation for 5-bromo-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridin-3-amine?
The canonical SMILES for 5-bromo-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridin-3-amine is COc1cc(CNc2cncc(Br)c2)ccc1OCC(F)(F)F.
What is the InChIKey of 5-bromo-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridin-3-amine?
The InChIKey is XYHJKOSZSYRRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF3N2O2/c1-22-14-4-10(2-3-13(14)23-9-15(17,18)19)6-21-12-5-11(16)7-20-8-12/h2-5,7-8,21H,6,9H2,1H3.
What are the key properties of 5-bromo-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridin-3-amine?
5-bromo-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridin-3-amine has a molecular weight of 391.19 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridin-3-amine is sourced from PubChem (CID 133318043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).