1-(5-bromo-2-pyridinyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine

C15H17BrN2 — CID 115606081

IUPAC1-(5-bromo-2-pyridinyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)cn1)c1ccc(C)cc1C
InChIInChI=1S/C15H17BrN2/c1-10-4-6-13(11(2)8-10)15(17-3)14-7-5-12(16)9-18-14/h4-9,15,17H,1-3H3
InChIKeyQKNNAFCANQMROF-UHFFFAOYSA-N
MW305.22 g/mol
LogP3.77
Rot. Bonds3

About 1-(5-bromo-2-pyridinyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine

1-(5-bromo-2-pyridinyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine (PubChem CID 115606081) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
PubChem CID115606081
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC Name1-(5-bromo-2-pyridinyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)cn1)c1ccc(C)cc1C
InChIInChI=1S/C15H17BrN2/c1-10-4-6-13(11(2)8-10)15(17-3)14-7-5-12(16)9-18-14/h4-9,15,17H,1-3H3
InChIKeyQKNNAFCANQMROF-UHFFFAOYSA-N
XLogP3.77
TPSA24.92 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 ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-pyridinyl)-(2,4-dimethylphenyl)methyl]ethanamine
CID 115606105
1-(5-bromo-2-pyridinyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine
CID 106881958
1-(5-bromo-2-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 114730873
1-(5-bromo-2-pyridinyl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
CID 115606086
1-(5-bromo-2-ethoxyphenyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 43487365
(5-bromo-2-pyridinyl)-(2,5-dimethylphenyl)methanol
CID 115606170
1-(2,4-dimethylphenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 104990383
5-bromo-N-[1-(2,4-dimethylphenyl)ethyl]pyridine-2-carboxamide
CID 62954221
1-(5-fluoro-2-pyridinyl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102754677
[(5-bromo-2-pyridinyl)-(3-methylphenyl)methyl]hydrazine
CID 105267734
(1S)-1-(5-bromo-2-pyridinyl)-N-methylethanamine
CID 130641134
[(5-bromo-2-pyridinyl)-(4-methoxy-2,5-dimethylphenyl)methyl]hydrazine
CID 105267904

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine (CID 115606081) is 1-(5-bromo-2-pyridinyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine is CNC(c1ccc(Br)cn1)c1ccc(C)cc1C.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine?
The InChIKey is QKNNAFCANQMROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2/c1-10-4-6-13(11(2)8-10)15(17-3)14-7-5-12(16)9-18-14/h4-9,15,17H,1-3H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine?
1-(5-bromo-2-pyridinyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine has a molecular weight of 305.22 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 115606081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).