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

C17H21BrN2 — CID 81111195

IUPAC1-(2-bromo-5-methylphenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine
SMILESCCNC(Cc1ccc(C)cn1)c1cc(C)ccc1Br
InChIInChI=1S/C17H21BrN2/c1-4-19-17(10-14-7-5-13(3)11-20-14)15-9-12(2)6-8-16(15)18/h5-9,11,17,19H,4,10H2,1-3H3
InChIKeySDYWAKMAYQSWFR-UHFFFAOYSA-N
MW333.27 g/mol
LogP4.35
Rot. Bonds5

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

1-(2-bromo-5-methylphenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine (PubChem CID 81111195) has the molecular formula C17H21BrN2 and a molecular weight of 333.27 g/mol. Its IUPAC name is 1-(2-bromo-5-methylphenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(2-bromo-5-methylphenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine
PubChem CID81111195
Molecular FormulaC17H21BrN2
Molecular Weight333.27 g/mol
Exact Mass332.09
IUPAC Name1-(2-bromo-5-methylphenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine
SMILESCCNC(Cc1ccc(C)cn1)c1cc(C)ccc1Br
InChIInChI=1S/C17H21BrN2/c1-4-19-17(10-14-7-5-13(3)11-20-14)15-9-12(2)6-8-16(15)18/h5-9,11,17,19H,4,10H2,1-3H3
InChIKeySDYWAKMAYQSWFR-UHFFFAOYSA-N
XLogP4.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 66448295
1-(5-bromothiophen-3-yl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 107963062
1-(2-bromo-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)-N-ethylethanamine
CID 105180870
1-(2-chloro-3-fluorophenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 81454622
1-(2-bromo-5-methylphenyl)-2-(2-bromophenyl)-N-ethylethanamine
CID 115787106
1-(2-bromo-5-methylphenyl)-2-cyclopropyl-N-ethylethanamine
CID 104986405
1-(2-bromo-5-methylphenyl)-N-ethyl-4-methylpentan-1-amine
CID 115834278
N-[1-(2-bromo-4-fluorophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 66446354
1-(2-bromo-5-methylphenyl)-N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002651
N-ethyl-2-(5-methyl-2-pyridinyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 66447725
2-(3-bromo-5-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-ethylethanamine
CID 105015550
1-(2-bromo-5-methylphenyl)-N-ethylpent-4-yn-1-amine
CID 115859283

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methylphenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine?
The IUPAC name of 1-(2-bromo-5-methylphenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine (CID 81111195) is 1-(2-bromo-5-methylphenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine.
What is the SMILES notation for 1-(2-bromo-5-methylphenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine?
The canonical SMILES for 1-(2-bromo-5-methylphenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine is CCNC(Cc1ccc(C)cn1)c1cc(C)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-methylphenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine?
The InChIKey is SDYWAKMAYQSWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2/c1-4-19-17(10-14-7-5-13(3)11-20-14)15-9-12(2)6-8-16(15)18/h5-9,11,17,19H,4,10H2,1-3H3.
What are the key properties of 1-(2-bromo-5-methylphenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine?
1-(2-bromo-5-methylphenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine has a molecular weight of 333.27 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methylphenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 81111195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).