[4-[(5-bromo-3-pyridinyl)methoxy]-3,5-dimethylphenyl]methanamine

C15H17BrN2O — CID 104796055

IUPAC[4-[(5-bromo-3-pyridinyl)methoxy]-3,5-dimethylphenyl]methanamine
SMILESCc1cc(CN)cc(C)c1OCc1cncc(Br)c1
InChIInChI=1S/C15H17BrN2O/c1-10-3-12(6-17)4-11(2)15(10)19-9-13-5-14(16)8-18-7-13/h3-5,7-8H,6,9,17H2,1-2H3
InChIKeyKXMOQXPJRFBYDR-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.50
Rot. Bonds4

About [4-[(5-bromo-3-pyridinyl)methoxy]-3,5-dimethylphenyl]methanamine

[4-[(5-bromo-3-pyridinyl)methoxy]-3,5-dimethylphenyl]methanamine (PubChem CID 104796055) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is [4-[(5-bromo-3-pyridinyl)methoxy]-3,5-dimethylphenyl]methanamine.

Molecular Properties

Compound Name[4-[(5-bromo-3-pyridinyl)methoxy]-3,5-dimethylphenyl]methanamine
PubChem CID104796055
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name[4-[(5-bromo-3-pyridinyl)methoxy]-3,5-dimethylphenyl]methanamine
SMILESCc1cc(CN)cc(C)c1OCc1cncc(Br)c1
InChIInChI=1S/C15H17BrN2O/c1-10-3-12(6-17)4-11(2)15(10)19-9-13-5-14(16)8-18-7-13/h3-5,7-8H,6,9,17H2,1-2H3
InChIKeyKXMOQXPJRFBYDR-UHFFFAOYSA-N
XLogP3.50
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromo-3-pyridinyl)methoxy]-3-methylaniline
CID 113454032
N-[[5-bromo-2-[(5-bromo-3-pyridinyl)methoxy]-3-methylphenyl]methyl]ethanamine
CID 104796493
[2-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]methanamine
CID 104796178
3-bromo-5-[(2,4-dimethylphenoxy)methyl]pyridine
CID 115580431
[5-[(5-bromo-3-pyridinyl)methoxy]-2-pyridinyl]methanamine
CID 113454081
3-bromo-5-[(4-bromophenoxy)methyl]pyridine
CID 115580483
N-[[2-[(5-bromo-3-pyridinyl)methoxy]-3-methylphenyl]methyl]ethanamine
CID 104796465
2-[(5-bromo-3-pyridinyl)methoxy]-3-fluoroaniline
CID 113458205
3-[(5-bromo-3-pyridinyl)methoxy]-6-methylpyridin-2-amine
CID 104795924
3-[[4-(chloromethyl)-2,6-dimethylphenoxy]methyl]-5-fluoropyridine
CID 114084526
[4-[(5-bromothiophen-2-yl)methoxy]-3,5-dimethylphenyl]methanamine
CID 60880164
2-[(5-bromo-3-pyridinyl)methoxy]-5-chloro-3-fluoroaniline
CID 114267715

Frequently Asked Questions

What is the IUPAC name of [4-[(5-bromo-3-pyridinyl)methoxy]-3,5-dimethylphenyl]methanamine?
The IUPAC name of [4-[(5-bromo-3-pyridinyl)methoxy]-3,5-dimethylphenyl]methanamine (CID 104796055) is [4-[(5-bromo-3-pyridinyl)methoxy]-3,5-dimethylphenyl]methanamine.
What is the SMILES notation for [4-[(5-bromo-3-pyridinyl)methoxy]-3,5-dimethylphenyl]methanamine?
The canonical SMILES for [4-[(5-bromo-3-pyridinyl)methoxy]-3,5-dimethylphenyl]methanamine is Cc1cc(CN)cc(C)c1OCc1cncc(Br)c1.
What is the InChIKey of [4-[(5-bromo-3-pyridinyl)methoxy]-3,5-dimethylphenyl]methanamine?
The InChIKey is KXMOQXPJRFBYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-10-3-12(6-17)4-11(2)15(10)19-9-13-5-14(16)8-18-7-13/h3-5,7-8H,6,9,17H2,1-2H3.
What are the key properties of [4-[(5-bromo-3-pyridinyl)methoxy]-3,5-dimethylphenyl]methanamine?
[4-[(5-bromo-3-pyridinyl)methoxy]-3,5-dimethylphenyl]methanamine has a molecular weight of 321.22 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-bromo-3-pyridinyl)methoxy]-3,5-dimethylphenyl]methanamine is sourced from PubChem (CID 104796055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).