2-(5-bromo-2-fluorophenyl)-N-methyl-2-pyridin-4-ylethanamine

C14H14BrFN2 — CID 116824951

IUPAC2-(5-bromo-2-fluorophenyl)-N-methyl-2-pyridin-4-ylethanamine
SMILESCNCC(c1ccncc1)c1cc(Br)ccc1F
InChIInChI=1S/C14H14BrFN2/c1-17-9-13(10-4-6-18-7-5-10)12-8-11(15)2-3-14(12)16/h2-8,13,17H,9H2,1H3
InChIKeyDPQCWEJKADYDLK-UHFFFAOYSA-N
MW309.18 g/mol
LogP3.33
Rot. Bonds4

About 2-(5-bromo-2-fluorophenyl)-N-methyl-2-pyridin-4-ylethanamine

2-(5-bromo-2-fluorophenyl)-N-methyl-2-pyridin-4-ylethanamine (PubChem CID 116824951) has the molecular formula C14H14BrFN2 and a molecular weight of 309.18 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-N-methyl-2-pyridin-4-ylethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-N-methyl-2-pyridin-4-ylethanamine
PubChem CID116824951
Molecular FormulaC14H14BrFN2
Molecular Weight309.18 g/mol
Exact Mass308.03
IUPAC Name2-(5-bromo-2-fluorophenyl)-N-methyl-2-pyridin-4-ylethanamine
SMILESCNCC(c1ccncc1)c1cc(Br)ccc1F
InChIInChI=1S/C14H14BrFN2/c1-17-9-13(10-4-6-18-7-5-10)12-8-11(15)2-3-14(12)16/h2-8,13,17H,9H2,1H3
InChIKeyDPQCWEJKADYDLK-UHFFFAOYSA-N
XLogP3.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.18
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluoro-3-methylphenyl)-N-methyl-2-pyridin-4-ylethanamine
CID 116824907
N-methyl-2,2-dipyridin-4-ylethanamine
CID 116824958
2-(5-bromo-2-fluorophenyl)-N-methylpropan-1-amine
CID 82974107
N-methyl-2-pyridin-4-yl-2-(2,4,5-trimethylphenyl)ethanamine
CID 116824934
1-(5-bromo-2-fluorophenyl)-N'-methylbutane-1,4-diamine
CID 116933922
2-fluoro-N-methyl-2-pyridin-4-ylethanamine
CID 83853523
4-bromo-2-(difluoromethyl)-1-fluorobenzene
CID 2761161
N-[2-(5-bromo-2-fluorophenyl)-1-pyridin-4-ylethyl]propan-1-amine
CID 62601872
1-(5-bromo-2-fluorophenyl)-1-isoquinolin-5-yl-N-methylmethanamine
CID 114894681
2-[1-(5-bromo-2-fluorophenyl)ethylamino]-1-phenylethanol
CID 81301682
N-methyl-2-pyridin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 116824902
(2S)-2-(5-bromo-2-fluorophenyl)-2-(methylamino)acetonitrile
CID 51675216

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-N-methyl-2-pyridin-4-ylethanamine?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-N-methyl-2-pyridin-4-ylethanamine (CID 116824951) is 2-(5-bromo-2-fluorophenyl)-N-methyl-2-pyridin-4-ylethanamine.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-N-methyl-2-pyridin-4-ylethanamine?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-N-methyl-2-pyridin-4-ylethanamine is CNCC(c1ccncc1)c1cc(Br)ccc1F.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-N-methyl-2-pyridin-4-ylethanamine?
The InChIKey is DPQCWEJKADYDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2/c1-17-9-13(10-4-6-18-7-5-10)12-8-11(15)2-3-14(12)16/h2-8,13,17H,9H2,1H3.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-N-methyl-2-pyridin-4-ylethanamine?
2-(5-bromo-2-fluorophenyl)-N-methyl-2-pyridin-4-ylethanamine has a molecular weight of 309.18 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-N-methyl-2-pyridin-4-ylethanamine is sourced from PubChem (CID 116824951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).