1-(5-bromo-2-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanamine

C15H17BrN2 — CID 66446142

IUPAC1-(5-bromo-2-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanamine
SMILESCc1ccc(CC(N)c2cc(Br)ccc2C)nc1
InChIInChI=1S/C15H17BrN2/c1-10-3-6-13(18-9-10)8-15(17)14-7-12(16)5-4-11(14)2/h3-7,9,15H,8,17H2,1-2H3
InChIKeyCZMHBVSZTHEKIF-UHFFFAOYSA-N
MW305.22 g/mol
LogP3.70
Rot. Bonds3

About 1-(5-bromo-2-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanamine

1-(5-bromo-2-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanamine (PubChem CID 66446142) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanamine
PubChem CID66446142
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC Name1-(5-bromo-2-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanamine
SMILESCc1ccc(CC(N)c2cc(Br)ccc2C)nc1
InChIInChI=1S/C15H17BrN2/c1-10-3-6-13(18-9-10)8-15(17)14-7-12(16)5-4-11(14)2/h3-7,9,15H,8,17H2,1-2H3
InChIKeyCZMHBVSZTHEKIF-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-(3,5-dibromophenyl)-2-(5-methyl-2-pyridinyl)ethanamine
CID 107980663
1-(2-bromo-4-fluorophenyl)-2-(5-methyl-2-pyridinyl)ethanamine
CID 66446521
2-[2-chloro-2-(2,5-dibromophenyl)ethyl]-5-methylpyridine
CID 114376362
1-(5-bromo-2-methylphenyl)-2-(3,5-dimethylphenyl)ethanamine
CID 115800850
1-(4-bromo-3,5-dimethylphenyl)-2-(5-bromo-2-pyridinyl)ethanamine
CID 114330336
2-(5-bromo-2-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 104803573
1-(5-bromo-2-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826789
(1R)-1-(5-bromo-2-methylphenyl)propan-1-amine
CID 96840213
2-(5-methyl-2-pyridinyl)-1-naphthalen-1-ylethanamine
CID 66446913
(1R)-1-(5-bromo-2-methylphenyl)propan-1-amine;hydrochloride
CID 171203844
1-(5-bromo-2-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 105011669
2-(5-methyl-2-pyridinyl)-1-phenylethanamine
CID 63196674

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanamine?
The IUPAC name of 1-(5-bromo-2-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanamine (CID 66446142) is 1-(5-bromo-2-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanamine.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanamine?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanamine is Cc1ccc(CC(N)c2cc(Br)ccc2C)nc1.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanamine?
The InChIKey is CZMHBVSZTHEKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2/c1-10-3-6-13(18-9-10)8-15(17)14-7-12(16)5-4-11(14)2/h3-7,9,15H,8,17H2,1-2H3.
What are the key properties of 1-(5-bromo-2-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanamine?
1-(5-bromo-2-methylphenyl)-2-(5-methyl-2-pyridinyl)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 1-(5-bromo-2-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 66446142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).