N-[[4-[(5-bromo-3-pyridinyl)methoxy]-3,5-difluorophenyl]methyl]ethanamine

C15H15BrF2N2O — CID 104796407

IUPACN-[[4-[(5-bromo-3-pyridinyl)methoxy]-3,5-difluorophenyl]methyl]ethanamine
SMILESCCNCc1cc(F)c(OCc2cncc(Br)c2)c(F)c1
InChIInChI=1S/C15H15BrF2N2O/c1-2-19-6-10-4-13(17)15(14(18)5-10)21-9-11-3-12(16)8-20-7-11/h3-5,7-8,19H,2,6,9H2,1H3
InChIKeyLXOUVKCVRXXMPX-UHFFFAOYSA-N
MW357.20 g/mol
LogP3.81
Rot. Bonds6

About N-[[4-[(5-bromo-3-pyridinyl)methoxy]-3,5-difluorophenyl]methyl]ethanamine

N-[[4-[(5-bromo-3-pyridinyl)methoxy]-3,5-difluorophenyl]methyl]ethanamine (PubChem CID 104796407) has the molecular formula C15H15BrF2N2O and a molecular weight of 357.20 g/mol. Its IUPAC name is N-[[4-[(5-bromo-3-pyridinyl)methoxy]-3,5-difluorophenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[(5-bromo-3-pyridinyl)methoxy]-3,5-difluorophenyl]methyl]ethanamine
PubChem CID104796407
Molecular FormulaC15H15BrF2N2O
Molecular Weight357.20 g/mol
Exact Mass356.03
IUPAC NameN-[[4-[(5-bromo-3-pyridinyl)methoxy]-3,5-difluorophenyl]methyl]ethanamine
SMILESCCNCc1cc(F)c(OCc2cncc(Br)c2)c(F)c1
InChIInChI=1S/C15H15BrF2N2O/c1-2-19-6-10-4-13(17)15(14(18)5-10)21-9-11-3-12(16)8-20-7-11/h3-5,7-8,19H,2,6,9H2,1H3
InChIKeyLXOUVKCVRXXMPX-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 ≤ 500357.20
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(4-bromophenyl)methoxy]-3,5-difluorophenyl]methyl]ethanamine
CID 79882222
N-[[4-[(5-bromo-3-pyridinyl)methoxy]phenyl]methyl]ethanamine
CID 104796087
N-[[5-bromo-2-[(5-bromo-3-pyridinyl)methoxy]-3-methylphenyl]methyl]ethanamine
CID 104796493
N-[[2-[(5-bromo-3-pyridinyl)methoxy]-3-methylphenyl]methyl]ethanamine
CID 104796465
N-[[4-[(5-bromo-3-pyridinyl)methoxy]-3-fluorophenyl]methyl]propan-1-amine
CID 107687153
N-[[3,5-difluoro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 79882208
N-[[3-[(5-bromo-3-pyridinyl)oxymethyl]-4-fluorophenyl]methyl]ethanamine
CID 107457738
N-[[3,5-difluoro-4-[(2-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 79882490
2-[(5-bromo-3-pyridinyl)methoxy]-5-chloro-3-fluoroaniline
CID 114267715
N-[[3-[(5-bromo-3-pyridinyl)oxy]-5-fluorophenyl]methyl]ethanamine
CID 106533485
2-[(5-bromo-3-pyridinyl)methoxy]-3-fluoroaniline
CID 113458205
[4-[(5-bromo-3-pyridinyl)methoxy]-3-fluorophenyl]methanol
CID 107690477

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(5-bromo-3-pyridinyl)methoxy]-3,5-difluorophenyl]methyl]ethanamine?
The IUPAC name of N-[[4-[(5-bromo-3-pyridinyl)methoxy]-3,5-difluorophenyl]methyl]ethanamine (CID 104796407) is N-[[4-[(5-bromo-3-pyridinyl)methoxy]-3,5-difluorophenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[(5-bromo-3-pyridinyl)methoxy]-3,5-difluorophenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-[(5-bromo-3-pyridinyl)methoxy]-3,5-difluorophenyl]methyl]ethanamine is CCNCc1cc(F)c(OCc2cncc(Br)c2)c(F)c1.
What is the InChIKey of N-[[4-[(5-bromo-3-pyridinyl)methoxy]-3,5-difluorophenyl]methyl]ethanamine?
The InChIKey is LXOUVKCVRXXMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrF2N2O/c1-2-19-6-10-4-13(17)15(14(18)5-10)21-9-11-3-12(16)8-20-7-11/h3-5,7-8,19H,2,6,9H2,1H3.
What are the key properties of N-[[4-[(5-bromo-3-pyridinyl)methoxy]-3,5-difluorophenyl]methyl]ethanamine?
N-[[4-[(5-bromo-3-pyridinyl)methoxy]-3,5-difluorophenyl]methyl]ethanamine has a molecular weight of 357.20 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-[[4-[(5-bromo-3-pyridinyl)methoxy]-3,5-difluorophenyl]methyl]ethanamine is sourced from PubChem (CID 104796407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).