N-[[4-(difluoromethoxy)phenyl]methyl]-1-(5-fluoro-3-pyridinyl)ethanamine

C15H15F3N2O — CID 103776062

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-1-(5-fluoro-3-pyridinyl)ethanamine
SMILESCC(NCc1ccc(OC(F)F)cc1)c1cncc(F)c1
InChIInChI=1S/C15H15F3N2O/c1-10(12-6-13(16)9-19-8-12)20-7-11-2-4-14(5-3-11)21-15(17)18/h2-6,8-10,15,20H,7H2,1H3
InChIKeyPXWDBDJORRRZLC-UHFFFAOYSA-N
MW296.29 g/mol
LogP3.67
Rot. Bonds6

About N-[[4-(difluoromethoxy)phenyl]methyl]-1-(5-fluoro-3-pyridinyl)ethanamine

N-[[4-(difluoromethoxy)phenyl]methyl]-1-(5-fluoro-3-pyridinyl)ethanamine (PubChem CID 103776062) has the molecular formula C15H15F3N2O and a molecular weight of 296.29 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-1-(5-fluoro-3-pyridinyl)ethanamine.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-1-(5-fluoro-3-pyridinyl)ethanamine
PubChem CID103776062
Molecular FormulaC15H15F3N2O
Molecular Weight296.29 g/mol
Exact Mass296.11
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-1-(5-fluoro-3-pyridinyl)ethanamine
SMILESCC(NCc1ccc(OC(F)F)cc1)c1cncc(F)c1
InChIInChI=1S/C15H15F3N2O/c1-10(12-6-13(16)9-19-8-12)20-7-11-2-4-14(5-3-11)21-15(17)18/h2-6,8-10,15,20H,7H2,1H3
InChIKeyPXWDBDJORRRZLC-UHFFFAOYSA-N
XLogP3.67
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-3-pyridinyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 103775385
4-[1-[[4-(difluoromethoxy)phenyl]methylamino]ethyl]phenol
CID 43205404
(1R)-1-(3-chlorophenyl)-N-[[4-(difluoromethoxy)phenyl]methyl]ethanamine
CID 29031162
N-[2-(2,2-difluoroethoxy)ethyl]-1-(5-fluoro-3-pyridinyl)ethanamine
CID 102978048
2-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]phenol
CID 103780351
1-(5-fluoro-3-pyridinyl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 75502451
1-(5-fluoro-3-pyridinyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 115706736
N-[[4-(difluoromethoxy)phenyl]methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 42919850
N-[[4-(difluoromethoxy)phenyl]methyl]-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine
CID 45219984
3-ethoxy-N-[1-(5-fluoro-3-pyridinyl)ethyl]propan-1-amine
CID 115704269
1-[4-(difluoromethoxy)phenyl]-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 62998835
N-[1-(5-fluoro-3-pyridinyl)ethyl]-2,2-dimethylpropan-1-amine
CID 103779066

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-1-(5-fluoro-3-pyridinyl)ethanamine?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-1-(5-fluoro-3-pyridinyl)ethanamine (CID 103776062) is N-[[4-(difluoromethoxy)phenyl]methyl]-1-(5-fluoro-3-pyridinyl)ethanamine.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-1-(5-fluoro-3-pyridinyl)ethanamine?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-1-(5-fluoro-3-pyridinyl)ethanamine is CC(NCc1ccc(OC(F)F)cc1)c1cncc(F)c1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-1-(5-fluoro-3-pyridinyl)ethanamine?
The InChIKey is PXWDBDJORRRZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O/c1-10(12-6-13(16)9-19-8-12)20-7-11-2-4-14(5-3-11)21-15(17)18/h2-6,8-10,15,20H,7H2,1H3.
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-1-(5-fluoro-3-pyridinyl)ethanamine?
N-[[4-(difluoromethoxy)phenyl]methyl]-1-(5-fluoro-3-pyridinyl)ethanamine has a molecular weight of 296.29 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-1-(5-fluoro-3-pyridinyl)ethanamine is sourced from PubChem (CID 103776062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).