1-[3-bromo-5-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]-N-methylmethanamine

C16H19BrN2O2 — CID 102880382

IUPAC1-[3-bromo-5-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cc(Br)c(OCc2cncc(C)c2)c(OC)c1
InChIInChI=1S/C16H19BrN2O2/c1-11-4-13(9-19-7-11)10-21-16-14(17)5-12(8-18-2)6-15(16)20-3/h4-7,9,18H,8,10H2,1-3H3
InChIKeyZPOKGUFQMIEEAP-UHFFFAOYSA-N
MW351.24 g/mol
LogP3.46
Rot. Bonds6

About 1-[3-bromo-5-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]-N-methylmethanamine

1-[3-bromo-5-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]-N-methylmethanamine (PubChem CID 102880382) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is 1-[3-bromo-5-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-bromo-5-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]-N-methylmethanamine
PubChem CID102880382
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC Name1-[3-bromo-5-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cc(Br)c(OCc2cncc(C)c2)c(OC)c1
InChIInChI=1S/C16H19BrN2O2/c1-11-4-13(9-19-7-11)10-21-16-14(17)5-12(8-18-2)6-15(16)20-3/h4-7,9,18H,8,10H2,1-3H3
InChIKeyZPOKGUFQMIEEAP-UHFFFAOYSA-N
XLogP3.46
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]methyl]-5-methylpyridine
CID 102881723
3-bromo-5-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]benzaldehyde
CID 102881304
[3,5-dimethoxy-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]methanol
CID 102881591
1-[3,5-dibromo-4-[(3,5-dimethylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 107741740
methyl 3-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-2,2-dimethylpropanoate
CID 79620889
N'-[[3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]-N-methylpropane-1,3-diamine
CID 2988909
1-(3-bromo-4-but-2-ynoxy-5-methoxyphenyl)-N-methylmethanamine
CID 62309722
1-[3-bromo-5-methoxy-4-(3-methylbutoxy)phenyl]-N-methylmethanamine
CID 43622288
1-[3-bromo-4-[(E)-but-2-enoxy]-5-methoxyphenyl]-N-methylmethanamine
CID 60887536
1-[3-bromo-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methoxyphenyl]-N-methylmethanamine
CID 61497303
1-[3,5-dibromo-4-[(3-methylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 107741925
2-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-N-methylacetamide
CID 43622304

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-5-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-bromo-5-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]-N-methylmethanamine (CID 102880382) is 1-[3-bromo-5-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-bromo-5-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-bromo-5-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]-N-methylmethanamine is CNCc1cc(Br)c(OCc2cncc(C)c2)c(OC)c1.
What is the InChIKey of 1-[3-bromo-5-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]-N-methylmethanamine?
The InChIKey is ZPOKGUFQMIEEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c1-11-4-13(9-19-7-11)10-21-16-14(17)5-12(8-18-2)6-15(16)20-3/h4-7,9,18H,8,10H2,1-3H3.
What are the key properties of 1-[3-bromo-5-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]-N-methylmethanamine?
1-[3-bromo-5-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]-N-methylmethanamine has a molecular weight of 351.24 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-5-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 102880382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).