N-[[6-(2,3-difluorophenoxy)-2-pyridinyl]methyl]propan-2-amine

C15H16F2N2O — CID 63038557

IUPACN-[[6-(2,3-difluorophenoxy)-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc(Oc2cccc(F)c2F)n1
InChIInChI=1S/C15H16F2N2O/c1-10(2)18-9-11-5-3-8-14(19-11)20-13-7-4-6-12(16)15(13)17/h3-8,10,18H,9H2,1-2H3
InChIKeyOZRKENCUVMKPCV-UHFFFAOYSA-N
MW278.30 g/mol
LogP3.65
Rot. Bonds5

About N-[[6-(2,3-difluorophenoxy)-2-pyridinyl]methyl]propan-2-amine

N-[[6-(2,3-difluorophenoxy)-2-pyridinyl]methyl]propan-2-amine (PubChem CID 63038557) has the molecular formula C15H16F2N2O and a molecular weight of 278.30 g/mol. Its IUPAC name is N-[[6-(2,3-difluorophenoxy)-2-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-(2,3-difluorophenoxy)-2-pyridinyl]methyl]propan-2-amine
PubChem CID63038557
Molecular FormulaC15H16F2N2O
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC NameN-[[6-(2,3-difluorophenoxy)-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc(Oc2cccc(F)c2F)n1
InChIInChI=1S/C15H16F2N2O/c1-10(2)18-9-11-5-3-8-14(19-11)20-13-7-4-6-12(16)15(13)17/h3-8,10,18H,9H2,1-2H3
InChIKeyOZRKENCUVMKPCV-UHFFFAOYSA-N
XLogP3.65
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-[(2,3-difluorophenoxy)methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106908318
N-[[6-(2-chloro-4-fluorophenoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62298078
N-[(6-propan-2-yloxy-2-pyridinyl)methyl]propan-2-amine
CID 62290162
[6-(2,3-difluorophenoxy)-2-pyridinyl]methanamine
CID 63035930
N-[[6-(2-fluoro-3-methylphenoxy)pyridazin-3-yl]methyl]propan-2-amine
CID 107660920
N-[[6-(2-fluorophenoxy)pyridazin-3-yl]methyl]propan-2-amine
CID 62295895
N-[[3-(2,3-difluorophenoxy)phenyl]methyl]propan-2-amine
CID 63943700
N-[(6-pentan-2-yloxy-2-pyridinyl)methyl]propan-2-amine
CID 102985999
N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]propan-2-amine;dihydrobromide
CID 11545437
N-[[6-(4-ethoxyphenoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62296382
N-[(6-butoxy-2-pyridinyl)methyl]propan-2-amine
CID 62291321
N-[[6-(2,3-difluorophenoxy)pyrazin-2-yl]methyl]ethanamine
CID 66466578

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,3-difluorophenoxy)-2-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[6-(2,3-difluorophenoxy)-2-pyridinyl]methyl]propan-2-amine (CID 63038557) is N-[[6-(2,3-difluorophenoxy)-2-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-(2,3-difluorophenoxy)-2-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-(2,3-difluorophenoxy)-2-pyridinyl]methyl]propan-2-amine is CC(C)NCc1cccc(Oc2cccc(F)c2F)n1.
What is the InChIKey of N-[[6-(2,3-difluorophenoxy)-2-pyridinyl]methyl]propan-2-amine?
The InChIKey is OZRKENCUVMKPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O/c1-10(2)18-9-11-5-3-8-14(19-11)20-13-7-4-6-12(16)15(13)17/h3-8,10,18H,9H2,1-2H3.
What are the key properties of N-[[6-(2,3-difluorophenoxy)-2-pyridinyl]methyl]propan-2-amine?
N-[[6-(2,3-difluorophenoxy)-2-pyridinyl]methyl]propan-2-amine has a molecular weight of 278.30 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,3-difluorophenoxy)-2-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 63038557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).