N-[[6-[(3-bromo-5-fluorophenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine

C16H16BrFN2O — CID 106908528

IUPACN-[[6-[(3-bromo-5-fluorophenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine
SMILESFc1cc(Br)cc(OCc2cccc(CNC3CC3)n2)c1
InChIInChI=1S/C16H16BrFN2O/c17-11-6-12(18)8-16(7-11)21-10-15-3-1-2-14(20-15)9-19-13-4-5-13/h1-3,6-8,13,19H,4-5,9-10H2
InChIKeyZGWLAHXKBULCEG-UHFFFAOYSA-N
MW351.22 g/mol
LogP3.81
Rot. Bonds6

About N-[[6-[(3-bromo-5-fluorophenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine

N-[[6-[(3-bromo-5-fluorophenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine (PubChem CID 106908528) has the molecular formula C16H16BrFN2O and a molecular weight of 351.22 g/mol. Its IUPAC name is N-[[6-[(3-bromo-5-fluorophenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-[(3-bromo-5-fluorophenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine
PubChem CID106908528
Molecular FormulaC16H16BrFN2O
Molecular Weight351.22 g/mol
Exact Mass350.04
IUPAC NameN-[[6-[(3-bromo-5-fluorophenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine
SMILESFc1cc(Br)cc(OCc2cccc(CNC3CC3)n2)c1
InChIInChI=1S/C16H16BrFN2O/c17-11-6-12(18)8-16(7-11)21-10-15-3-1-2-14(20-15)9-19-13-4-5-13/h1-3,6-8,13,19H,4-5,9-10H2
InChIKeyZGWLAHXKBULCEG-UHFFFAOYSA-N
XLogP3.81
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[6-[(3-bromo-5-fluorophenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[6-(3-bromo-5-fluorophenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 81326156
N-[[6-[(5-bromo-3-pyridinyl)oxymethyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106908393
N-[[6-[(3-bromo-5-fluorophenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106908526
N-[[6-(phenoxymethyl)-2-pyridinyl]methyl]cyclopropanamine
CID 106908050
N-[[6-[(3-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106908030
N-[[6-[(2,4-dibromophenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106908411
N-[[6-[(4-methylsulfanylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106908345
N-[[6-[(5-fluoro-2-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106908716
N-[[3-(3-bromo-5-fluorophenoxy)phenyl]methyl]cyclopropanamine
CID 81331912
N-[[6-(3-bromophenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62323390
N-[[6-[(5-chloro-2-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106908462
N-[2-(3-bromo-5-fluorophenoxy)ethyl]cycloheptanamine
CID 81326014

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(3-bromo-5-fluorophenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-[(3-bromo-5-fluorophenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine (CID 106908528) is N-[[6-[(3-bromo-5-fluorophenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-[(3-bromo-5-fluorophenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-[(3-bromo-5-fluorophenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine is Fc1cc(Br)cc(OCc2cccc(CNC3CC3)n2)c1.
What is the InChIKey of N-[[6-[(3-bromo-5-fluorophenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine?
The InChIKey is ZGWLAHXKBULCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2O/c17-11-6-12(18)8-16(7-11)21-10-15-3-1-2-14(20-15)9-19-13-4-5-13/h1-3,6-8,13,19H,4-5,9-10H2.
What are the key properties of N-[[6-[(3-bromo-5-fluorophenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine?
N-[[6-[(3-bromo-5-fluorophenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine has a molecular weight of 351.22 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(3-bromo-5-fluorophenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 106908528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).