2-(5-bromo-3-pyridinyl)-1-(2,4-dimethylphenyl)ethanamine

C15H17BrN2 — CID 105036620

IUPAC2-(5-bromo-3-pyridinyl)-1-(2,4-dimethylphenyl)ethanamine
SMILESCc1ccc(C(N)Cc2cncc(Br)c2)c(C)c1
InChIInChI=1S/C15H17BrN2/c1-10-3-4-14(11(2)5-10)15(17)7-12-6-13(16)9-18-8-12/h3-6,8-9,15H,7,17H2,1-2H3
InChIKeyIYEPFZINXQYTTF-UHFFFAOYSA-N
MW305.22 g/mol
LogP3.70
Rot. Bonds3

About 2-(5-bromo-3-pyridinyl)-1-(2,4-dimethylphenyl)ethanamine

2-(5-bromo-3-pyridinyl)-1-(2,4-dimethylphenyl)ethanamine (PubChem CID 105036620) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1-(2,4-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1-(2,4-dimethylphenyl)ethanamine
PubChem CID105036620
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC Name2-(5-bromo-3-pyridinyl)-1-(2,4-dimethylphenyl)ethanamine
SMILESCc1ccc(C(N)Cc2cncc(Br)c2)c(C)c1
InChIInChI=1S/C15H17BrN2/c1-10-3-4-14(11(2)5-10)15(17)7-12-6-13(16)9-18-8-12/h3-6,8-9,15H,7,17H2,1-2H3
InChIKeyIYEPFZINXQYTTF-UHFFFAOYSA-N
XLogP3.70
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylphenyl)-2-pyridin-3-ylethanamine
CID 62802997
2-(5-bromo-3-pyridinyl)-1-(2,3-dimethylphenyl)ethanamine
CID 105036926
2-(5-bromo-3-pyridinyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine
CID 104803955
2-(5-bromo-3-pyridinyl)-1-(3-methylfuran-2-yl)ethanamine
CID 104804107
2-(5-bromo-3-pyridinyl)-1-(4-methylphenyl)ethanol
CID 113454601
2-(5-bromo-3-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 105036649
2-(5-bromo-3-pyridinyl)-1-[4-bromo-2-(trifluoromethyl)phenyl]ethanamine
CID 104801818
1-(2,4-dimethylphenyl)-2-(4-iodophenyl)ethanamine
CID 115864016
2-(5-bromo-3-pyridinyl)-1-(2-chlorophenyl)ethanamine
CID 113454887
2-(5-bromo-3-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 113454694
2-(5-bromo-3-pyridinyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 105036758
1-(5-bromo-3-pyridinyl)-3-(4-methylphenyl)propan-2-ol
CID 104799991

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(2,4-dimethylphenyl)ethanamine?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(2,4-dimethylphenyl)ethanamine (CID 105036620) is 2-(5-bromo-3-pyridinyl)-1-(2,4-dimethylphenyl)ethanamine.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1-(2,4-dimethylphenyl)ethanamine?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1-(2,4-dimethylphenyl)ethanamine is Cc1ccc(C(N)Cc2cncc(Br)c2)c(C)c1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1-(2,4-dimethylphenyl)ethanamine?
The InChIKey is IYEPFZINXQYTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2/c1-10-3-4-14(11(2)5-10)15(17)7-12-6-13(16)9-18-8-12/h3-6,8-9,15H,7,17H2,1-2H3.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1-(2,4-dimethylphenyl)ethanamine?
2-(5-bromo-3-pyridinyl)-1-(2,4-dimethylphenyl)ethanamine has a molecular weight of 305.22 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-1-(2,4-dimethylphenyl)ethanamine is sourced from PubChem (CID 105036620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).