3-(5-bromo-3-pyridinyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine

C15H16BrFN2 — CID 104810803

IUPAC3-(5-bromo-3-pyridinyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1cncc(Br)c1)c1ccc(F)cc1
InChIInChI=1S/C15H16BrFN2/c1-18-9-13(12-2-4-15(17)5-3-12)6-11-7-14(16)10-19-8-11/h2-5,7-8,10,13,18H,6,9H2,1H3
InChIKeyKVFQPHYNPOLGFY-UHFFFAOYSA-N
MW323.21 g/mol
LogP3.53
Rot. Bonds5

About 3-(5-bromo-3-pyridinyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine

3-(5-bromo-3-pyridinyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine (PubChem CID 104810803) has the molecular formula C15H16BrFN2 and a molecular weight of 323.21 g/mol. Its IUPAC name is 3-(5-bromo-3-pyridinyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(5-bromo-3-pyridinyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine
PubChem CID104810803
Molecular FormulaC15H16BrFN2
Molecular Weight323.21 g/mol
Exact Mass322.05
IUPAC Name3-(5-bromo-3-pyridinyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1cncc(Br)c1)c1ccc(F)cc1
InChIInChI=1S/C15H16BrFN2/c1-18-9-13(12-2-4-15(17)5-3-12)6-11-7-14(16)10-19-8-11/h2-5,7-8,10,13,18H,6,9H2,1H3
InChIKeyKVFQPHYNPOLGFY-UHFFFAOYSA-N
XLogP3.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.21
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(5-bromo-3-pyridinyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine 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

3-bromo-5-[3-chloro-2-(4-fluorophenyl)propyl]pyridine
CID 113456105
2-(4-bromophenyl)-3-(4-fluorophenyl)-N-methylpropan-1-amine
CID 79442314
3-(5-bromo-3-pyridinyl)-2-(3-fluorophenyl)-N-propan-2-ylpropan-1-amine
CID 104810835
3-(5-bromo-3-pyridinyl)-N,2-dimethylpropan-1-amine
CID 104810425
2-(4-fluorophenyl)-N-methyl-3-phenylpropan-1-amine
CID 79441486
2-(5-bromo-3-pyridinyl)-N-methyl-1-(4-methylsulfanylphenyl)ethanamine
CID 105036943
2-(5-bromo-3-pyridinyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 105036812
2-(4-bromophenyl)-3-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 79441806
2-(5-bromo-3-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 113454694
2-(4-fluorophenyl)-N-methylhexan-1-amine
CID 79442456
2-(5-bromo-3-pyridinyl)-1-(4-methylphenyl)ethanol
CID 113454601
2-(5-bromo-3-pyridinyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 105181176

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-3-pyridinyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine?
The IUPAC name of 3-(5-bromo-3-pyridinyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine (CID 104810803) is 3-(5-bromo-3-pyridinyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(5-bromo-3-pyridinyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(5-bromo-3-pyridinyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine is CNCC(Cc1cncc(Br)c1)c1ccc(F)cc1.
What is the InChIKey of 3-(5-bromo-3-pyridinyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine?
The InChIKey is KVFQPHYNPOLGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2/c1-18-9-13(12-2-4-15(17)5-3-12)6-11-7-14(16)10-19-8-11/h2-5,7-8,10,13,18H,6,9H2,1H3.
What are the key properties of 3-(5-bromo-3-pyridinyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine?
3-(5-bromo-3-pyridinyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine has a molecular weight of 323.21 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-3-pyridinyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 104810803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).