(5-bromo-3-pyridinyl)-(2-methoxy-3,4-dimethylphenyl)methanamine

C15H17BrN2O — CID 103433757

IUPAC(5-bromo-3-pyridinyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
SMILESCOc1c(C(N)c2cncc(Br)c2)ccc(C)c1C
InChIInChI=1S/C15H17BrN2O/c1-9-4-5-13(15(19-3)10(9)2)14(17)11-6-12(16)8-18-7-11/h4-8,14H,17H2,1-3H3
InChIKeyKDIAJZTUZBOPAD-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.52
Rot. Bonds3

About (5-bromo-3-pyridinyl)-(2-methoxy-3,4-dimethylphenyl)methanamine

(5-bromo-3-pyridinyl)-(2-methoxy-3,4-dimethylphenyl)methanamine (PubChem CID 103433757) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is (5-bromo-3-pyridinyl)-(2-methoxy-3,4-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-3-pyridinyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
PubChem CID103433757
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name(5-bromo-3-pyridinyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
SMILESCOc1c(C(N)c2cncc(Br)c2)ccc(C)c1C
InChIInChI=1S/C15H17BrN2O/c1-9-4-5-13(15(19-3)10(9)2)14(17)11-6-12(16)8-18-7-11/h4-8,14H,17H2,1-3H3
InChIKeyKDIAJZTUZBOPAD-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

(2,6-dimethyl-4-pyridinyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 107503056
(3-bromo-5-chloro-2-methoxyphenyl)-(5-bromo-3-pyridinyl)methanamine
CID 43125118
(4-bromo-2-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103435334
(3-fluoro-5-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103433807
(5-bromo-3-pyridinyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 43125149
(3,5-dibromophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 107978788
4-[amino-(2-methoxy-3,4-dimethylphenyl)methyl]-N,N-dimethylaniline
CID 103435266
(2-chloro-4-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 106858983
1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 103435227
[(3-bromophenyl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine
CID 103435826
(2-methoxy-3,4-dimethylphenyl)-(4-methyl-2-pyridinyl)methanamine
CID 103433515
1-(5-fluoro-3-pyridinyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine
CID 103435215

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-pyridinyl)-(2-methoxy-3,4-dimethylphenyl)methanamine?
The IUPAC name of (5-bromo-3-pyridinyl)-(2-methoxy-3,4-dimethylphenyl)methanamine (CID 103433757) is (5-bromo-3-pyridinyl)-(2-methoxy-3,4-dimethylphenyl)methanamine.
What is the SMILES notation for (5-bromo-3-pyridinyl)-(2-methoxy-3,4-dimethylphenyl)methanamine?
The canonical SMILES for (5-bromo-3-pyridinyl)-(2-methoxy-3,4-dimethylphenyl)methanamine is COc1c(C(N)c2cncc(Br)c2)ccc(C)c1C.
What is the InChIKey of (5-bromo-3-pyridinyl)-(2-methoxy-3,4-dimethylphenyl)methanamine?
The InChIKey is KDIAJZTUZBOPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-9-4-5-13(15(19-3)10(9)2)14(17)11-6-12(16)8-18-7-11/h4-8,14H,17H2,1-3H3.
What are the key properties of (5-bromo-3-pyridinyl)-(2-methoxy-3,4-dimethylphenyl)methanamine?
(5-bromo-3-pyridinyl)-(2-methoxy-3,4-dimethylphenyl)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 (5-bromo-3-pyridinyl)-(2-methoxy-3,4-dimethylphenyl)methanamine is sourced from PubChem (CID 103433757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).