1-(3-bromo-2-pyridinyl)-2-(4-fluoro-2-methylphenyl)ethanamine

C14H14BrFN2 — CID 114348316

IUPAC1-(3-bromo-2-pyridinyl)-2-(4-fluoro-2-methylphenyl)ethanamine
SMILESCc1cc(F)ccc1CC(N)c1ncccc1Br
InChIInChI=1S/C14H14BrFN2/c1-9-7-11(16)5-4-10(9)8-13(17)14-12(15)3-2-6-18-14/h2-7,13H,8,17H2,1H3
InChIKeyRARDPXDZQMGFKT-UHFFFAOYSA-N
MW309.18 g/mol
LogP3.53
Rot. Bonds3

About 1-(3-bromo-2-pyridinyl)-2-(4-fluoro-2-methylphenyl)ethanamine

1-(3-bromo-2-pyridinyl)-2-(4-fluoro-2-methylphenyl)ethanamine (PubChem CID 114348316) has the molecular formula C14H14BrFN2 and a molecular weight of 309.18 g/mol. Its IUPAC name is 1-(3-bromo-2-pyridinyl)-2-(4-fluoro-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-2-pyridinyl)-2-(4-fluoro-2-methylphenyl)ethanamine
PubChem CID114348316
Molecular FormulaC14H14BrFN2
Molecular Weight309.18 g/mol
Exact Mass308.03
IUPAC Name1-(3-bromo-2-pyridinyl)-2-(4-fluoro-2-methylphenyl)ethanamine
SMILESCc1cc(F)ccc1CC(N)c1ncccc1Br
InChIInChI=1S/C14H14BrFN2/c1-9-7-11(16)5-4-10(9)8-13(17)14-12(15)3-2-6-18-14/h2-7,13H,8,17H2,1H3
InChIKeyRARDPXDZQMGFKT-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

(3-bromo-2-pyridinyl)-(4-fluoro-2-methylphenyl)methanamine
CID 113398464
[1-(3-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)ethyl]hydrazine
CID 105268167
[(3-bromo-2-pyridinyl)-(4-fluoro-2-methylphenyl)methyl]hydrazine
CID 105268031
1-(3-bromo-2-pyridinyl)propan-1-amine
CID 112693253
2-(5-fluoro-2-methylphenyl)-1-pyrimidin-2-ylethanamine
CID 105373657
1,2-bis(4-fluoro-2-methylphenyl)ethanamine
CID 114348216
2-(4-fluoro-2-methylphenyl)-1-(3-fluorophenyl)ethanamine
CID 114347619
(1S)-1-(3-bromo-2-pyridinyl)butan-1-amine
CID 103694350
1-(4-bromo-2-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114906223
2-(4-fluoro-2-methylphenyl)-1-thiophen-2-ylethanamine
CID 114347626
N-[2-(2-bromo-4-fluorophenyl)-1-(3-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 62603776
1-(2-bromo-3-methylphenyl)-2-(2,4-difluorophenyl)ethanamine
CID 107982860

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-pyridinyl)-2-(4-fluoro-2-methylphenyl)ethanamine?
The IUPAC name of 1-(3-bromo-2-pyridinyl)-2-(4-fluoro-2-methylphenyl)ethanamine (CID 114348316) is 1-(3-bromo-2-pyridinyl)-2-(4-fluoro-2-methylphenyl)ethanamine.
What is the SMILES notation for 1-(3-bromo-2-pyridinyl)-2-(4-fluoro-2-methylphenyl)ethanamine?
The canonical SMILES for 1-(3-bromo-2-pyridinyl)-2-(4-fluoro-2-methylphenyl)ethanamine is Cc1cc(F)ccc1CC(N)c1ncccc1Br.
What is the InChIKey of 1-(3-bromo-2-pyridinyl)-2-(4-fluoro-2-methylphenyl)ethanamine?
The InChIKey is RARDPXDZQMGFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2/c1-9-7-11(16)5-4-10(9)8-13(17)14-12(15)3-2-6-18-14/h2-7,13H,8,17H2,1H3.
What are the key properties of 1-(3-bromo-2-pyridinyl)-2-(4-fluoro-2-methylphenyl)ethanamine?
1-(3-bromo-2-pyridinyl)-2-(4-fluoro-2-methylphenyl)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-2-pyridinyl)-2-(4-fluoro-2-methylphenyl)ethanamine is sourced from PubChem (CID 114348316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).