3-[3-bromo-4-[(4-methoxyphenyl)methoxy]phenyl]pyridin-2-amine

C19H17BrN2O2 — CID 68874259

IUPAC3-[3-bromo-4-[(4-methoxyphenyl)methoxy]phenyl]pyridin-2-amine
SMILESCOc1ccc(COc2ccc(-c3cccnc3N)cc2Br)cc1
InChIInChI=1S/C19H17BrN2O2/c1-23-15-7-4-13(5-8-15)12-24-18-9-6-14(11-17(18)20)16-3-2-10-22-19(16)21/h2-11H,12H2,1H3,(H2,21,22)
InChIKeyZDPKIBGYKBGNBH-UHFFFAOYSA-N
MW385.26 g/mol
LogP4.68
Rot. Bonds5

About 3-[3-bromo-4-[(4-methoxyphenyl)methoxy]phenyl]pyridin-2-amine

3-[3-bromo-4-[(4-methoxyphenyl)methoxy]phenyl]pyridin-2-amine (PubChem CID 68874259) has the molecular formula C19H17BrN2O2 and a molecular weight of 385.26 g/mol. Its IUPAC name is 3-[3-bromo-4-[(4-methoxyphenyl)methoxy]phenyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-bromo-4-[(4-methoxyphenyl)methoxy]phenyl]pyridin-2-amine
PubChem CID68874259
Molecular FormulaC19H17BrN2O2
Molecular Weight385.26 g/mol
Exact Mass384.05
IUPAC Name3-[3-bromo-4-[(4-methoxyphenyl)methoxy]phenyl]pyridin-2-amine
SMILESCOc1ccc(COc2ccc(-c3cccnc3N)cc2Br)cc1
InChIInChI=1S/C19H17BrN2O2/c1-23-15-7-4-13(5-8-15)12-24-18-9-6-14(11-17(18)20)16-3-2-10-22-19(16)21/h2-11H,12H2,1H3,(H2,21,22)
InChIKeyZDPKIBGYKBGNBH-UHFFFAOYSA-N
XLogP4.68
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.26
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 148913175
(4-methoxyphenyl)methyl 3-bromo-4-[(4-methoxyphenyl)methoxy]benzoate
CID 142526842
[3-[(2-bromo-4-methoxyphenoxy)methyl]-2-pyridinyl]methanamine
CID 104706871
3-(3-bromo-4-methoxyphenyl)pyrazin-2-amine
CID 112559163
2-bromo-4-[(4-methoxyphenyl)methoxy]-5-methylaniline
CID 137378485
methyl 3-bromo-4-[(4-methoxyphenyl)methoxy]benzoate
CID 171484206
7-[(3-bromo-4-methoxyphenyl)methoxy]quinoline
CID 107314495
4-bromo-2-chloro-1-[(4-methoxyphenyl)methoxy]benzene
CID 59428353
[6-[(2-bromo-4-methoxyphenoxy)methyl]-2-pyridinyl]methanamine
CID 106908648
4-[(2-bromo-4-methoxyphenoxy)methyl]-2-chloropyridine
CID 104704629
2-[2-[(4-methoxyphenyl)methoxy]phenyl]pyridine-3-carbonitrile
CID 86604951
[3-bromo-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 63046855

Frequently Asked Questions

What is the IUPAC name of 3-[3-bromo-4-[(4-methoxyphenyl)methoxy]phenyl]pyridin-2-amine?
The IUPAC name of 3-[3-bromo-4-[(4-methoxyphenyl)methoxy]phenyl]pyridin-2-amine (CID 68874259) is 3-[3-bromo-4-[(4-methoxyphenyl)methoxy]phenyl]pyridin-2-amine.
What is the SMILES notation for 3-[3-bromo-4-[(4-methoxyphenyl)methoxy]phenyl]pyridin-2-amine?
The canonical SMILES for 3-[3-bromo-4-[(4-methoxyphenyl)methoxy]phenyl]pyridin-2-amine is COc1ccc(COc2ccc(-c3cccnc3N)cc2Br)cc1.
What is the InChIKey of 3-[3-bromo-4-[(4-methoxyphenyl)methoxy]phenyl]pyridin-2-amine?
The InChIKey is ZDPKIBGYKBGNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O2/c1-23-15-7-4-13(5-8-15)12-24-18-9-6-14(11-17(18)20)16-3-2-10-22-19(16)21/h2-11H,12H2,1H3,(H2,21,22).
What are the key properties of 3-[3-bromo-4-[(4-methoxyphenyl)methoxy]phenyl]pyridin-2-amine?
3-[3-bromo-4-[(4-methoxyphenyl)methoxy]phenyl]pyridin-2-amine has a molecular weight of 385.26 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-bromo-4-[(4-methoxyphenyl)methoxy]phenyl]pyridin-2-amine is sourced from PubChem (CID 68874259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).