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

C15H16BrFN2 — CID 107955465

IUPAC1-(3-bromo-2-fluorophenyl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine
SMILESCNC(Cc1ccc(C)cn1)c1cccc(Br)c1F
InChIInChI=1S/C15H16BrFN2/c1-10-6-7-11(19-9-10)8-14(18-2)12-4-3-5-13(16)15(12)17/h3-7,9,14,18H,8H2,1-2H3
InChIKeyFAJJAEYDSMEYPW-UHFFFAOYSA-N
MW323.21 g/mol
LogP3.79
Rot. Bonds4

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

1-(3-bromo-2-fluorophenyl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine (PubChem CID 107955465) has the molecular formula C15H16BrFN2 and a molecular weight of 323.21 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine
PubChem CID107955465
Molecular FormulaC15H16BrFN2
Molecular Weight323.21 g/mol
Exact Mass322.05
IUPAC Name1-(3-bromo-2-fluorophenyl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine
SMILESCNC(Cc1ccc(C)cn1)c1cccc(Br)c1F
InChIInChI=1S/C15H16BrFN2/c1-10-6-7-11(19-9-10)8-14(18-2)12-4-3-5-13(16)15(12)17/h3-7,9,14,18H,8H2,1-2H3
InChIKeyFAJJAEYDSMEYPW-UHFFFAOYSA-N
XLogP3.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.21
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-difluorophenyl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 66447887
1-(2,6-difluorophenyl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 66446542
N-[1-(3-bromo-2-fluorophenyl)-2-(5-bromo-2-pyridinyl)ethyl]propan-1-amine
CID 107953636
1-(2-chloro-4-fluorophenyl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 66447132
(2R)-2-(3-bromo-2-fluorophenyl)-2-(methylamino)ethanol
CID 131031091
1-(2-chloro-3-fluorophenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 81454622
1-(3-bromo-2-fluorophenyl)-2-(1-butan-2-ylpyrazol-3-yl)-N-methylethanamine
CID 107953147
1-(3-bromo-2-fluorophenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 106645338
2-[2-bromo-2-(2-bromo-6-fluorophenyl)ethyl]-5-methylpyridine
CID 114561365
1-(3-bromo-2-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 107952774
1-(3-bromo-2-fluorophenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 106647594
1-(1-benzothiophen-3-yl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 66447520

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluorophenyl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine (CID 107955465) is 1-(3-bromo-2-fluorophenyl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine is CNC(Cc1ccc(C)cn1)c1cccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine?
The InChIKey is FAJJAEYDSMEYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2/c1-10-6-7-11(19-9-10)8-14(18-2)12-4-3-5-13(16)15(12)17/h3-7,9,14,18H,8H2,1-2H3.
What are the key properties of 1-(3-bromo-2-fluorophenyl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine?
1-(3-bromo-2-fluorophenyl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine has a molecular weight of 323.21 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluorophenyl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 107955465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).