N-[[3-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]methyl]propan-1-amine

C15H16ClFN2O — CID 106533487

IUPACN-[[3-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(F)cc(Oc2cncc(Cl)c2)c1
InChIInChI=1S/C15H16ClFN2O/c1-2-3-18-8-11-4-13(17)7-14(5-11)20-15-6-12(16)9-19-10-15/h4-7,9-10,18H,2-3,8H2,1H3
InChIKeyINPPIYGMAZXHBU-UHFFFAOYSA-N
MW294.76 g/mol
LogP4.17
Rot. Bonds6

About N-[[3-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]methyl]propan-1-amine

N-[[3-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]methyl]propan-1-amine (PubChem CID 106533487) has the molecular formula C15H16ClFN2O and a molecular weight of 294.76 g/mol. Its IUPAC name is N-[[3-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]methyl]propan-1-amine
PubChem CID106533487
Molecular FormulaC15H16ClFN2O
Molecular Weight294.76 g/mol
Exact Mass294.09
IUPAC NameN-[[3-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(F)cc(Oc2cncc(Cl)c2)c1
InChIInChI=1S/C15H16ClFN2O/c1-2-3-18-8-11-4-13(17)7-14(5-11)20-15-6-12(16)9-19-10-15/h4-7,9-10,18H,2-3,8H2,1H3
InChIKeyINPPIYGMAZXHBU-UHFFFAOYSA-N
XLogP4.17
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]methyl]cyclopropanamine
CID 106533490
N-[[3-[(5-bromo-3-pyridinyl)oxy]-5-fluorophenyl]methyl]ethanamine
CID 106533485
N-[[3-(2-bromo-4-chlorophenoxy)-5-fluorophenyl]methyl]propan-1-amine
CID 106533376
N-[[4-[(5-chloro-3-pyridinyl)oxy]-3-pyridinyl]methyl]propan-1-amine
CID 81250184
1-[5-(3,5-difluorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 113469602
N-[[6-(3,5-difluorophenoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 66466126
3,5-bis[(5-chloro-3-pyridinyl)oxy]pyridine
CID 102468102
N-[[3-(3,5-dimethylphenoxy)-5-fluorophenyl]methyl]ethanamine
CID 106533327
N-[(3-bromo-5-fluorophenyl)methyl]propan-1-amine
CID 43248382
N-[[3-(4-ethylphenoxy)-5-fluorophenyl]methyl]ethanamine
CID 106533297
N-[[5-chloro-6-(4-fluorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62295927
N-[[3-fluoro-5-(2-propan-2-ylsulfonylethoxy)phenyl]methyl]propan-1-amine
CID 106722559

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]methyl]propan-1-amine (CID 106533487) is N-[[3-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]methyl]propan-1-amine is CCCNCc1cc(F)cc(Oc2cncc(Cl)c2)c1.
What is the InChIKey of N-[[3-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]methyl]propan-1-amine?
The InChIKey is INPPIYGMAZXHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O/c1-2-3-18-8-11-4-13(17)7-14(5-11)20-15-6-12(16)9-19-10-15/h4-7,9-10,18H,2-3,8H2,1H3.
What are the key properties of N-[[3-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]methyl]propan-1-amine?
N-[[3-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]methyl]propan-1-amine has a molecular weight of 294.76 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]methyl]propan-1-amine is sourced from PubChem (CID 106533487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).