1-(3-bromo-5-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanamine

C15H16BrFN2 — CID 79748010

IUPAC1-(3-bromo-5-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanamine
SMILESCCc1ccc(CC(N)c2cc(F)cc(Br)c2)nc1
InChIInChI=1S/C15H16BrFN2/c1-2-10-3-4-14(19-9-10)8-15(18)11-5-12(16)7-13(17)6-11/h3-7,9,15H,2,8,18H2,1H3
InChIKeyVYXMNLXWKGEKSR-UHFFFAOYSA-N
MW323.21 g/mol
LogP3.79
Rot. Bonds4

About 1-(3-bromo-5-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanamine

1-(3-bromo-5-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanamine (PubChem CID 79748010) has the molecular formula C15H16BrFN2 and a molecular weight of 323.21 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanamine
PubChem CID79748010
Molecular FormulaC15H16BrFN2
Molecular Weight323.21 g/mol
Exact Mass322.05
IUPAC Name1-(3-bromo-5-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanamine
SMILESCCc1ccc(CC(N)c2cc(F)cc(Br)c2)nc1
InChIInChI=1S/C15H16BrFN2/c1-2-10-3-4-14(19-9-10)8-15(18)11-5-12(16)7-13(17)6-11/h3-7,9,15H,2,8,18H2,1H3
InChIKeyVYXMNLXWKGEKSR-UHFFFAOYSA-N
XLogP3.79
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.21
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-difluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanamine
CID 79747813
1-(4-bromo-2,6-difluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanamine
CID 105014806
1-(3-bromo-5-fluorophenyl)-N-ethyl-2-(5-ethyl-2-pyridinyl)ethanamine
CID 79740670
1-(4-bromo-3,5-dimethylphenyl)-2-(5-ethyl-2-pyridinyl)ethanamine
CID 114330207
1-(2,6-dimethyl-4-pyridinyl)-2-(5-ethyl-2-pyridinyl)ethanamine
CID 107503102
1-(3,5-dibromophenyl)-2-(5-methyl-2-pyridinyl)ethanamine
CID 107980663
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-(3,5-dibromophenyl)-2-(4-ethylphenyl)ethanamine
CID 107973873
1-(3-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)ethanamine
CID 61079421
1-(3-bromo-5-fluorophenyl)-2-(5-bromo-3-pyridinyl)ethanamine
CID 104802830
1-(4-bromo-3-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 81437627

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanamine?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanamine (CID 79748010) is 1-(3-bromo-5-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanamine.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanamine?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanamine is CCc1ccc(CC(N)c2cc(F)cc(Br)c2)nc1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanamine?
The InChIKey is VYXMNLXWKGEKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2/c1-2-10-3-4-14(19-9-10)8-15(18)11-5-12(16)7-13(17)6-11/h3-7,9,15H,2,8,18H2,1H3.
What are the key properties of 1-(3-bromo-5-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanamine?
1-(3-bromo-5-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanamine has a molecular weight of 323.21 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 79748010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).