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

C17H21BrN2 — CID 114330207

IUPAC1-(4-bromo-3,5-dimethylphenyl)-2-(5-ethyl-2-pyridinyl)ethanamine
SMILESCCc1ccc(CC(N)c2cc(C)c(Br)c(C)c2)nc1
InChIInChI=1S/C17H21BrN2/c1-4-13-5-6-15(20-10-13)9-16(19)14-7-11(2)17(18)12(3)8-14/h5-8,10,16H,4,9,19H2,1-3H3
InChIKeyMNHVEYBUEOVMBK-UHFFFAOYSA-N
MW333.27 g/mol
LogP4.27
Rot. Bonds4

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

1-(4-bromo-3,5-dimethylphenyl)-2-(5-ethyl-2-pyridinyl)ethanamine (PubChem CID 114330207) has the molecular formula C17H21BrN2 and a molecular weight of 333.27 g/mol. Its IUPAC name is 1-(4-bromo-3,5-dimethylphenyl)-2-(5-ethyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-3,5-dimethylphenyl)-2-(5-ethyl-2-pyridinyl)ethanamine
PubChem CID114330207
Molecular FormulaC17H21BrN2
Molecular Weight333.27 g/mol
Exact Mass332.09
IUPAC Name1-(4-bromo-3,5-dimethylphenyl)-2-(5-ethyl-2-pyridinyl)ethanamine
SMILESCCc1ccc(CC(N)c2cc(C)c(Br)c(C)c2)nc1
InChIInChI=1S/C17H21BrN2/c1-4-13-5-6-15(20-10-13)9-16(19)14-7-11(2)17(18)12(3)8-14/h5-8,10,16H,4,9,19H2,1-3H3
InChIKeyMNHVEYBUEOVMBK-UHFFFAOYSA-N
XLogP4.27
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-3,5-dimethylphenyl)-2-(5-bromo-2-pyridinyl)ethanamine
CID 114330336
1-(2,6-dimethyl-4-pyridinyl)-2-(5-ethyl-2-pyridinyl)ethanamine
CID 107503102
1-(3,5-difluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanamine
CID 79747813
1-(3-bromo-5-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanamine
CID 79748010
2-(5-ethyl-2-pyridinyl)-1-(5-methyl-3-pyridinyl)ethanamine
CID 105168972
1-(3-chlorophenyl)-2-(5-ethyl-2-pyridinyl)ethanamine
CID 79747791
1-(4-bromo-2,6-difluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanamine
CID 105014806
1-(4-bromo-3-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 81447383
1-(5-chloro-2-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanamine
CID 105014621
1-(3,5-dibromophenyl)-2-(5-methyl-2-pyridinyl)ethanamine
CID 107980663
1-(4-bromo-2-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 115822213
1-(3,5-dichloro-2-pyridinyl)-2-(5-ethyl-2-pyridinyl)ethanamine
CID 79780214

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3,5-dimethylphenyl)-2-(5-ethyl-2-pyridinyl)ethanamine?
The IUPAC name of 1-(4-bromo-3,5-dimethylphenyl)-2-(5-ethyl-2-pyridinyl)ethanamine (CID 114330207) is 1-(4-bromo-3,5-dimethylphenyl)-2-(5-ethyl-2-pyridinyl)ethanamine.
What is the SMILES notation for 1-(4-bromo-3,5-dimethylphenyl)-2-(5-ethyl-2-pyridinyl)ethanamine?
The canonical SMILES for 1-(4-bromo-3,5-dimethylphenyl)-2-(5-ethyl-2-pyridinyl)ethanamine is CCc1ccc(CC(N)c2cc(C)c(Br)c(C)c2)nc1.
What is the InChIKey of 1-(4-bromo-3,5-dimethylphenyl)-2-(5-ethyl-2-pyridinyl)ethanamine?
The InChIKey is MNHVEYBUEOVMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2/c1-4-13-5-6-15(20-10-13)9-16(19)14-7-11(2)17(18)12(3)8-14/h5-8,10,16H,4,9,19H2,1-3H3.
What are the key properties of 1-(4-bromo-3,5-dimethylphenyl)-2-(5-ethyl-2-pyridinyl)ethanamine?
1-(4-bromo-3,5-dimethylphenyl)-2-(5-ethyl-2-pyridinyl)ethanamine has a molecular weight of 333.27 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3,5-dimethylphenyl)-2-(5-ethyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 114330207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).