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

C15H17BrN2O — CID 114330272

IUPAC(4-bromo-3,5-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine
SMILESCOc1cncc(C(N)c2cc(C)c(Br)c(C)c2)c1
InChIInChI=1S/C15H17BrN2O/c1-9-4-11(5-10(2)14(9)16)15(17)12-6-13(19-3)8-18-7-12/h4-8,15H,17H2,1-3H3
InChIKeyPSHZRPHFVAWZAN-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.52
Rot. Bonds3

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

(4-bromo-3,5-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine (PubChem CID 114330272) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is (4-bromo-3,5-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(4-bromo-3,5-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine
PubChem CID114330272
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name(4-bromo-3,5-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine
SMILESCOc1cncc(C(N)c2cc(C)c(Br)c(C)c2)c1
InChIInChI=1S/C15H17BrN2O/c1-9-4-11(5-10(2)14(9)16)15(17)12-6-13(19-3)8-18-7-12/h4-8,15H,17H2,1-3H3
InChIKeyPSHZRPHFVAWZAN-UHFFFAOYSA-N
XLogP3.52
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-3,5-dimethylphenyl)-(5-propoxy-3-pyridinyl)methanamine
CID 114330234
(3,4-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine
CID 105025843
(2,5-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine
CID 105025888
(5-methoxy-3-pyridinyl)-(5-methylthiophen-2-yl)methanamine
CID 105026193
(5-methoxy-3-pyridinyl)-(2,4,6-trifluorophenyl)methanamine
CID 105026146
(3-fluoro-4-methoxyphenyl)-(5-methoxy-3-pyridinyl)methanamine
CID 105026161
(5-bromo-2-methylphenyl)-(5-methoxy-3-pyridinyl)methanol
CID 115828827
(3-bromo-5-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027433
1,3-dihydro-2-benzofuran-5-yl-(5-methoxy-3-pyridinyl)methanamine
CID 105026056
3-(dimethoxymethyl)-5-methoxypyridine
CID 45361740
(3-methoxy-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027423
1-(5-methoxy-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 105175275

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3,5-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine?
The IUPAC name of (4-bromo-3,5-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine (CID 114330272) is (4-bromo-3,5-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine.
What is the SMILES notation for (4-bromo-3,5-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine?
The canonical SMILES for (4-bromo-3,5-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine is COc1cncc(C(N)c2cc(C)c(Br)c(C)c2)c1.
What is the InChIKey of (4-bromo-3,5-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine?
The InChIKey is PSHZRPHFVAWZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-9-4-11(5-10(2)14(9)16)15(17)12-6-13(19-3)8-18-7-12/h4-8,15H,17H2,1-3H3.
What are the key properties of (4-bromo-3,5-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine?
(4-bromo-3,5-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine has a molecular weight of 321.22 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3,5-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine is sourced from PubChem (CID 114330272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).