N-[(5-bromo-3-pyridinyl)methyl]-1-[2-(difluoromethoxy)phenyl]ethanamine

C15H15BrF2N2O — CID 115900140

IUPACN-[(5-bromo-3-pyridinyl)methyl]-1-[2-(difluoromethoxy)phenyl]ethanamine
SMILESCC(NCc1cncc(Br)c1)c1ccccc1OC(F)F
InChIInChI=1S/C15H15BrF2N2O/c1-10(20-8-11-6-12(16)9-19-7-11)13-4-2-3-5-14(13)21-15(17)18/h2-7,9-10,15,20H,8H2,1H3
InChIKeyJTEORNRRDNMXPA-UHFFFAOYSA-N
MW357.20 g/mol
LogP4.30
Rot. Bonds6

About N-[(5-bromo-3-pyridinyl)methyl]-1-[2-(difluoromethoxy)phenyl]ethanamine

N-[(5-bromo-3-pyridinyl)methyl]-1-[2-(difluoromethoxy)phenyl]ethanamine (PubChem CID 115900140) has the molecular formula C15H15BrF2N2O and a molecular weight of 357.20 g/mol. Its IUPAC name is N-[(5-bromo-3-pyridinyl)methyl]-1-[2-(difluoromethoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromo-3-pyridinyl)methyl]-1-[2-(difluoromethoxy)phenyl]ethanamine
PubChem CID115900140
Molecular FormulaC15H15BrF2N2O
Molecular Weight357.20 g/mol
Exact Mass356.03
IUPAC NameN-[(5-bromo-3-pyridinyl)methyl]-1-[2-(difluoromethoxy)phenyl]ethanamine
SMILESCC(NCc1cncc(Br)c1)c1ccccc1OC(F)F
InChIInChI=1S/C15H15BrF2N2O/c1-10(20-8-11-6-12(16)9-19-7-11)13-4-2-3-5-14(13)21-15(17)18/h2-7,9-10,15,20H,8H2,1H3
InChIKeyJTEORNRRDNMXPA-UHFFFAOYSA-N
XLogP4.30
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.20
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-bromo-2-pyridinyl)methyl]-1-[2-(difluoromethoxy)phenyl]ethanamine
CID 115938017
1-[2-(difluoromethoxy)phenyl]-N-[(3-methylimidazol-4-yl)methyl]ethanamine
CID 63000114
1-[2-(difluoromethoxy)phenyl]-N-(2-phenylethyl)ethanamine
CID 43194104
(1R)-1-(3-bromophenyl)-N-[(5-bromo-3-pyridinyl)methyl]ethanamine
CID 104797063
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-5-methylpyridin-3-amine
CID 103932280
N-[(5-bromo-3-pyridinyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 115580893
1-[2-(difluoromethoxy)phenyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 60777482
1-[2-(difluoromethoxy)phenyl]-N-(thiophen-2-ylmethyl)ethanamine
CID 43204729
1-[1-[2-(difluoromethoxy)phenyl]ethylamino]propan-2-ol
CID 43499370
4-[1-[2-(difluoromethoxy)phenyl]ethylamino]butan-1-ol
CID 106840787
4-bromo-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline
CID 43194545
N-(pyridin-3-ylmethyl)-1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 75495399

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-3-pyridinyl)methyl]-1-[2-(difluoromethoxy)phenyl]ethanamine?
The IUPAC name of N-[(5-bromo-3-pyridinyl)methyl]-1-[2-(difluoromethoxy)phenyl]ethanamine (CID 115900140) is N-[(5-bromo-3-pyridinyl)methyl]-1-[2-(difluoromethoxy)phenyl]ethanamine.
What is the SMILES notation for N-[(5-bromo-3-pyridinyl)methyl]-1-[2-(difluoromethoxy)phenyl]ethanamine?
The canonical SMILES for N-[(5-bromo-3-pyridinyl)methyl]-1-[2-(difluoromethoxy)phenyl]ethanamine is CC(NCc1cncc(Br)c1)c1ccccc1OC(F)F.
What is the InChIKey of N-[(5-bromo-3-pyridinyl)methyl]-1-[2-(difluoromethoxy)phenyl]ethanamine?
The InChIKey is JTEORNRRDNMXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrF2N2O/c1-10(20-8-11-6-12(16)9-19-7-11)13-4-2-3-5-14(13)21-15(17)18/h2-7,9-10,15,20H,8H2,1H3.
What are the key properties of N-[(5-bromo-3-pyridinyl)methyl]-1-[2-(difluoromethoxy)phenyl]ethanamine?
N-[(5-bromo-3-pyridinyl)methyl]-1-[2-(difluoromethoxy)phenyl]ethanamine has a molecular weight of 357.20 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-3-pyridinyl)methyl]-1-[2-(difluoromethoxy)phenyl]ethanamine is sourced from PubChem (CID 115900140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).