N-[[5-bromo-2-(3,5-difluorophenoxy)-3-pyridinyl]methyl]propan-2-amine

C15H15BrF2N2O — CID 62783784

IUPACN-[[5-bromo-2-(3,5-difluorophenoxy)-3-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(Br)cnc1Oc1cc(F)cc(F)c1
InChIInChI=1S/C15H15BrF2N2O/c1-9(2)19-7-10-3-11(16)8-20-15(10)21-14-5-12(17)4-13(18)6-14/h3-6,8-9,19H,7H2,1-2H3
InChIKeyQIAYYOBXSBNGBZ-UHFFFAOYSA-N
MW357.20 g/mol
LogP4.41
Rot. Bonds5

About N-[[5-bromo-2-(3,5-difluorophenoxy)-3-pyridinyl]methyl]propan-2-amine

N-[[5-bromo-2-(3,5-difluorophenoxy)-3-pyridinyl]methyl]propan-2-amine (PubChem CID 62783784) has the molecular formula C15H15BrF2N2O and a molecular weight of 357.20 g/mol. Its IUPAC name is N-[[5-bromo-2-(3,5-difluorophenoxy)-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-bromo-2-(3,5-difluorophenoxy)-3-pyridinyl]methyl]propan-2-amine
PubChem CID62783784
Molecular FormulaC15H15BrF2N2O
Molecular Weight357.20 g/mol
Exact Mass356.03
IUPAC NameN-[[5-bromo-2-(3,5-difluorophenoxy)-3-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(Br)cnc1Oc1cc(F)cc(F)c1
InChIInChI=1S/C15H15BrF2N2O/c1-9(2)19-7-10-3-11(16)8-20-15(10)21-14-5-12(17)4-13(18)6-14/h3-6,8-9,19H,7H2,1-2H3
InChIKeyQIAYYOBXSBNGBZ-UHFFFAOYSA-N
XLogP4.41
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.20
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-bromo-2-(3,5-difluorophenoxy)-3-pyridinyl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[5-bromo-2-(3-fluoro-4-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 107170579
N-[[5-bromo-2-(4-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62295659
1-[5-bromo-2-(3-bromo-5-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 81325924
N-[[5-bromo-2-(3,4-dichlorophenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 63489176
N-[[5-bromo-2-(3-methoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62298160
N-[[5-bromo-2-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]propan-2-amine
CID 62292181
N-[[6-(3-bromo-5-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 81315137
1-[5-bromo-2-(3-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 55058269
N-[[5-bromo-2-(2-propan-2-yloxyethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62290354
N-[[5-bromo-2-(4-chloro-2-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 63489168
N-[[5-bromo-2-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methyl]propan-2-amine
CID 104566317
N-[[5-(3,5-difluorophenoxy)pyrazin-2-yl]methyl]propan-2-amine
CID 107382104

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-(3,5-difluorophenoxy)-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-bromo-2-(3,5-difluorophenoxy)-3-pyridinyl]methyl]propan-2-amine (CID 62783784) is N-[[5-bromo-2-(3,5-difluorophenoxy)-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-bromo-2-(3,5-difluorophenoxy)-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-bromo-2-(3,5-difluorophenoxy)-3-pyridinyl]methyl]propan-2-amine is CC(C)NCc1cc(Br)cnc1Oc1cc(F)cc(F)c1.
What is the InChIKey of N-[[5-bromo-2-(3,5-difluorophenoxy)-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is QIAYYOBXSBNGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrF2N2O/c1-9(2)19-7-10-3-11(16)8-20-15(10)21-14-5-12(17)4-13(18)6-14/h3-6,8-9,19H,7H2,1-2H3.
What are the key properties of N-[[5-bromo-2-(3,5-difluorophenoxy)-3-pyridinyl]methyl]propan-2-amine?
N-[[5-bromo-2-(3,5-difluorophenoxy)-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 357.20 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-(3,5-difluorophenoxy)-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 62783784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).