1-(2-bromo-4-fluorophenyl)-2-(5-methyl-2-pyridinyl)ethanamine

C14H14BrFN2 — CID 66446521

IUPAC1-(2-bromo-4-fluorophenyl)-2-(5-methyl-2-pyridinyl)ethanamine
SMILESCc1ccc(CC(N)c2ccc(F)cc2Br)nc1
InChIInChI=1S/C14H14BrFN2/c1-9-2-4-11(18-8-9)7-14(17)12-5-3-10(16)6-13(12)15/h2-6,8,14H,7,17H2,1H3
InChIKeyOHKPTNKKMQZJGJ-UHFFFAOYSA-N
MW309.18 g/mol
LogP3.53
Rot. Bonds3

About 1-(2-bromo-4-fluorophenyl)-2-(5-methyl-2-pyridinyl)ethanamine

1-(2-bromo-4-fluorophenyl)-2-(5-methyl-2-pyridinyl)ethanamine (PubChem CID 66446521) has the molecular formula C14H14BrFN2 and a molecular weight of 309.18 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-2-(5-methyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-2-(5-methyl-2-pyridinyl)ethanamine
PubChem CID66446521
Molecular FormulaC14H14BrFN2
Molecular Weight309.18 g/mol
Exact Mass308.03
IUPAC Name1-(2-bromo-4-fluorophenyl)-2-(5-methyl-2-pyridinyl)ethanamine
SMILESCc1ccc(CC(N)c2ccc(F)cc2Br)nc1
InChIInChI=1S/C14H14BrFN2/c1-9-2-4-11(18-8-9)7-14(17)12-5-3-10(16)6-13(12)15/h2-6,8,14H,7,17H2,1H3
InChIKeyOHKPTNKKMQZJGJ-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

2-(5-bromo-2-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 104803573
N-[1-(2-bromo-4-fluorophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 66446354
1-(5-bromo-2-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanamine
CID 66446142
2-[2-bromo-2-(2-chloro-4-fluorophenyl)ethyl]-5-methylpyridine
CID 66453362
1-(3,5-dibromophenyl)-2-(5-methyl-2-pyridinyl)ethanamine
CID 107980663
1-(2,3-difluorophenyl)-2-(5-methyl-2-pyridinyl)ethanamine
CID 66446522
1-(2-bromo-4-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107063908
1,2-bis(2-bromo-4-fluorophenyl)ethanamine
CID 115843294
(1R)-1-(2-bromo-4-fluorophenyl)ethane-1,2-diamine
CID 66517956
1-(2-bromo-4-fluorophenyl)-2-(3,4-dimethylphenyl)ethanamine
CID 62539465
(1R)-1-(2-bromo-4-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171220747
(1R)-1-(2-bromo-4-fluorophenyl)pentan-1-amine;hydrochloride
CID 171201221

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-2-(5-methyl-2-pyridinyl)ethanamine?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-2-(5-methyl-2-pyridinyl)ethanamine (CID 66446521) is 1-(2-bromo-4-fluorophenyl)-2-(5-methyl-2-pyridinyl)ethanamine.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-2-(5-methyl-2-pyridinyl)ethanamine?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-2-(5-methyl-2-pyridinyl)ethanamine is Cc1ccc(CC(N)c2ccc(F)cc2Br)nc1.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-2-(5-methyl-2-pyridinyl)ethanamine?
The InChIKey is OHKPTNKKMQZJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2/c1-9-2-4-11(18-8-9)7-14(17)12-5-3-10(16)6-13(12)15/h2-6,8,14H,7,17H2,1H3.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-2-(5-methyl-2-pyridinyl)ethanamine?
1-(2-bromo-4-fluorophenyl)-2-(5-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-(2-bromo-4-fluorophenyl)-2-(5-methyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 66446521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).