1-(5-bromo-2-pyridinyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine

C17H21BrN2 — CID 104801767

IUPAC1-(5-bromo-2-pyridinyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine
SMILESCCNC(Cc1ccc(C)cc1)Cc1ccc(Br)cn1
InChIInChI=1S/C17H21BrN2/c1-3-19-17(10-14-6-4-13(2)5-7-14)11-16-9-8-15(18)12-20-16/h4-9,12,17,19H,3,10-11H2,1-2H3
InChIKeyRHGALYFKIASZRA-UHFFFAOYSA-N
MW333.27 g/mol
LogP3.92
Rot. Bonds6

About 1-(5-bromo-2-pyridinyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine

1-(5-bromo-2-pyridinyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine (PubChem CID 104801767) has the molecular formula C17H21BrN2 and a molecular weight of 333.27 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine
PubChem CID104801767
Molecular FormulaC17H21BrN2
Molecular Weight333.27 g/mol
Exact Mass332.09
IUPAC Name1-(5-bromo-2-pyridinyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine
SMILESCCNC(Cc1ccc(C)cc1)Cc1ccc(Br)cn1
InChIInChI=1S/C17H21BrN2/c1-3-19-17(10-14-6-4-13(2)5-7-14)11-16-9-8-15(18)12-20-16/h4-9,12,17,19H,3,10-11H2,1-2H3
InChIKeyRHGALYFKIASZRA-UHFFFAOYSA-N
XLogP3.92
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-pyridinyl)-3-(2,5-dimethylphenyl)-N-ethylpropan-2-amine
CID 105036122
1-(5-bromo-2-pyridinyl)-3-phenyl-N-propylpropan-2-amine
CID 104801214
1-(5-bromo-2-pyridinyl)-3-ethoxy-N-ethylpropan-2-amine
CID 104802677
1-(5-bromo-2-pyridinyl)-N-ethyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 104801872
1-(5-bromo-2-pyridinyl)-N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105180924
1-(5-bromo-2-pyridinyl)-3-cyclobutyl-N-ethylpropan-2-amine
CID 103169483
1-(4-bromophenyl)-N-ethyl-3-pyridin-4-ylpropan-2-amine
CID 55087091
1-(5-bromo-2-pyridinyl)-3-(3,4-dimethylphenyl)-N-methylpropan-2-amine
CID 104801904
[1-(4-bromophenyl)-3-(5-ethyl-2-pyridinyl)propan-2-yl]hydrazine
CID 105195480
1-(5-bromo-2-pyridinyl)-4-cyclohexyl-N-ethylbutan-2-amine
CID 105036409
1-(4-bromophenyl)-N-ethylbutan-2-amine
CID 60819705
1-(5-bromo-2-pyridinyl)-3-(3-fluorophenyl)-N-propylpropan-2-amine
CID 104801503

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine (CID 104801767) is 1-(5-bromo-2-pyridinyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine is CCNC(Cc1ccc(C)cc1)Cc1ccc(Br)cn1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine?
The InChIKey is RHGALYFKIASZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2/c1-3-19-17(10-14-6-4-13(2)5-7-14)11-16-9-8-15(18)12-20-16/h4-9,12,17,19H,3,10-11H2,1-2H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine?
1-(5-bromo-2-pyridinyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine has a molecular weight of 333.27 g/mol, XLogP of 3.92, 6 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)-N-ethyl-3-(4-methylphenyl)propan-2-amine is sourced from PubChem (CID 104801767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).