[5-bromo-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]methanamine

C16H19BrN2O2 — CID 28981665

IUPAC[5-bromo-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]methanamine
SMILESCOc1c(C)cnc(COc2ccc(Br)cc2CN)c1C
InChIInChI=1S/C16H19BrN2O2/c1-10-8-19-14(11(2)16(10)20-3)9-21-15-5-4-13(17)6-12(15)7-18/h4-6,8H,7,9,18H2,1-3H3
InChIKeyMGPDWDMHCPVQAY-UHFFFAOYSA-N
MW351.24 g/mol
LogP3.51
Rot. Bonds5

About [5-bromo-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]methanamine

[5-bromo-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]methanamine (PubChem CID 28981665) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is [5-bromo-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[5-bromo-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]methanamine
PubChem CID28981665
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC Name[5-bromo-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]methanamine
SMILESCOc1c(C)cnc(COc2ccc(Br)cc2CN)c1C
InChIInChI=1S/C16H19BrN2O2/c1-10-8-19-14(11(2)16(10)20-3)9-21-15-5-4-13(17)6-12(15)7-18/h4-6,8H,7,9,18H2,1-3H3
InChIKeyMGPDWDMHCPVQAY-UHFFFAOYSA-N
XLogP3.51
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-bromo-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]methanamine 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

3-methoxy-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]aniline
CID 62110783
2-[[2-(chloromethyl)-4-fluorophenoxy]methyl]-4-methoxy-3,5-dimethylpyridine
CID 107698932
2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-4-methoxy-3,5-dimethylpyridine
CID 43324923
5-bromo-4-fluoro-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]aniline
CID 103482976
1-(2,5-dibromophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 114968302
[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]-6-methyl-2-pyridinyl]methanol
CID 79163828
3-(aminomethyl)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyridin-2-one
CID 107017591
[5-bromo-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 60877933
1-(5-bromo-2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
CID 114894511
1-(4-bromo-2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 114905820
4-bromo-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]aniline
CID 81201331
[5-bromo-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanamine
CID 60878120

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]methanamine?
The IUPAC name of [5-bromo-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]methanamine (CID 28981665) is [5-bromo-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]methanamine.
What is the SMILES notation for [5-bromo-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]methanamine?
The canonical SMILES for [5-bromo-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]methanamine is COc1c(C)cnc(COc2ccc(Br)cc2CN)c1C.
What is the InChIKey of [5-bromo-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]methanamine?
The InChIKey is MGPDWDMHCPVQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c1-10-8-19-14(11(2)16(10)20-3)9-21-15-5-4-13(17)6-12(15)7-18/h4-6,8H,7,9,18H2,1-3H3.
What are the key properties of [5-bromo-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]methanamine?
[5-bromo-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]methanamine has a molecular weight of 351.24 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]methanamine is sourced from PubChem (CID 28981665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).