2-(5-bromo-2-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanamine

C14H14BrFN2 — CID 104803573

IUPAC2-(5-bromo-2-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanamine
SMILESCc1cc(F)ccc1C(N)Cc1ccc(Br)cn1
InChIInChI=1S/C14H14BrFN2/c1-9-6-11(16)3-5-13(9)14(17)7-12-4-2-10(15)8-18-12/h2-6,8,14H,7,17H2,1H3
InChIKeyYGYQTFLMGDMWSI-UHFFFAOYSA-N
MW309.18 g/mol
LogP3.53
Rot. Bonds3

About 2-(5-bromo-2-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanamine

2-(5-bromo-2-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanamine (PubChem CID 104803573) has the molecular formula C14H14BrFN2 and a molecular weight of 309.18 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanamine
PubChem CID104803573
Molecular FormulaC14H14BrFN2
Molecular Weight309.18 g/mol
Exact Mass308.03
IUPAC Name2-(5-bromo-2-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanamine
SMILESCc1cc(F)ccc1C(N)Cc1ccc(Br)cn1
InChIInChI=1S/C14H14BrFN2/c1-9-6-11(16)3-5-13(9)14(17)7-12-4-2-10(15)8-18-12/h2-6,8,14H,7,17H2,1H3
InChIKeyYGYQTFLMGDMWSI-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

Analyze 2-(5-bromo-2-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-bromo-4-fluorophenyl)-2-(5-methyl-2-pyridinyl)ethanamine
CID 66446521
2-(5-bromo-2-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 81279246
1-(4-bromo-3,5-dimethylphenyl)-2-(5-bromo-2-pyridinyl)ethanamine
CID 114330336
1,2-bis(4-fluoro-2-methylphenyl)ethanamine
CID 114348216
2-(4-bromothiophen-2-yl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 81279645
1-(5-bromo-2-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanamine
CID 66446142
N-[1-(2-bromo-4-fluorophenyl)-2-(5-bromo-2-pyridinyl)ethyl]propan-1-amine
CID 105036047
1-(4-bromo-2-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114906223
[2-(5-bromo-2-pyridinyl)-1-(2,4-difluoro-5-methylphenyl)ethyl]hydrazine
CID 105334604
1-(4-fluoro-2-methylphenyl)-2-pyridin-4-ylethanamine
CID 62791571
1-(2-bromo-5-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethanamine
CID 114027189
2-(3-bromo-4-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 81279482

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanamine?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanamine (CID 104803573) is 2-(5-bromo-2-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanamine.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanamine?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanamine is Cc1cc(F)ccc1C(N)Cc1ccc(Br)cn1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanamine?
The InChIKey is YGYQTFLMGDMWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2/c1-9-6-11(16)3-5-13(9)14(17)7-12-4-2-10(15)8-18-12/h2-6,8,14H,7,17H2,1H3.
What are the key properties of 2-(5-bromo-2-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanamine?
2-(5-bromo-2-pyridinyl)-1-(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 2-(5-bromo-2-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanamine is sourced from PubChem (CID 104803573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).