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

C14H14BrFN2 — CID 66446478

IUPAC1-(3-bromo-5-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine
SMILESCc1cccnc1CC(N)c1cc(F)cc(Br)c1
InChIInChI=1S/C14H14BrFN2/c1-9-3-2-4-18-14(9)8-13(17)10-5-11(15)7-12(16)6-10/h2-7,13H,8,17H2,1H3
InChIKeyCNRCBTBDGOXFNQ-UHFFFAOYSA-N
MW309.18 g/mol
LogP3.53
Rot. Bonds3

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

1-(3-bromo-5-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine (PubChem CID 66446478) has the molecular formula C14H14BrFN2 and a molecular weight of 309.18 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine
PubChem CID66446478
Molecular FormulaC14H14BrFN2
Molecular Weight309.18 g/mol
Exact Mass308.03
IUPAC Name1-(3-bromo-5-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine
SMILESCc1cccnc1CC(N)c1cc(F)cc(Br)c1
InChIInChI=1S/C14H14BrFN2/c1-9-3-2-4-18-14(9)8-13(17)10-5-11(15)7-12(16)6-10/h2-7,13H,8,17H2,1H3
InChIKeyCNRCBTBDGOXFNQ-UHFFFAOYSA-N
XLogP3.53
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.18
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-difluorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 66448420
1-(4-bromo-2-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 66446075
1-(3,4-dichlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 66447248
1-(2-bromo-5-chlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 114027773
1-(furan-3-yl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 66448619
1-(4-bromo-2-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 115369502
2-(2-bromo-4-fluorophenyl)-1-(3-bromo-5-fluorophenyl)ethanamine
CID 66425067
1-(5-bromothiophen-2-yl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 66449000
1-(3-bromophenyl)-2-(3-methyl-2-pyridinyl)ethanol
CID 66461704
1-(3-bromo-5-chlorophenyl)-2-(3-methyl-2-pyridinyl)ethanol
CID 114020682
1-(3-bromo-5-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanamine
CID 79748010
1-(3-bromo-5-fluorophenyl)-2-(2-chloro-4-fluorophenyl)ethanamine
CID 66425660

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine (CID 66446478) is 1-(3-bromo-5-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine is Cc1cccnc1CC(N)c1cc(F)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine?
The InChIKey is CNRCBTBDGOXFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2/c1-9-3-2-4-18-14(9)8-13(17)10-5-11(15)7-12(16)6-10/h2-7,13H,8,17H2,1H3.
What are the key properties of 1-(3-bromo-5-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine?
1-(3-bromo-5-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine has a molecular weight of 309.18 g/mol, XLogP of 3.53, 3 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-(3-methyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 66446478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).