N-[[5-chloro-6-(4-fluorophenoxy)-3-pyridinyl]methyl]propan-1-amine

C15H16ClFN2O — CID 62295927

IUPACN-[[5-chloro-6-(4-fluorophenoxy)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnc(Oc2ccc(F)cc2)c(Cl)c1
InChIInChI=1S/C15H16ClFN2O/c1-2-7-18-9-11-8-14(16)15(19-10-11)20-13-5-3-12(17)4-6-13/h3-6,8,10,18H,2,7,9H2,1H3
InChIKeyXHLJTCRXBNMNNX-UHFFFAOYSA-N
MW294.76 g/mol
LogP4.17
Rot. Bonds6

About N-[[5-chloro-6-(4-fluorophenoxy)-3-pyridinyl]methyl]propan-1-amine

N-[[5-chloro-6-(4-fluorophenoxy)-3-pyridinyl]methyl]propan-1-amine (PubChem CID 62295927) has the molecular formula C15H16ClFN2O and a molecular weight of 294.76 g/mol. Its IUPAC name is N-[[5-chloro-6-(4-fluorophenoxy)-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-chloro-6-(4-fluorophenoxy)-3-pyridinyl]methyl]propan-1-amine
PubChem CID62295927
Molecular FormulaC15H16ClFN2O
Molecular Weight294.76 g/mol
Exact Mass294.09
IUPAC NameN-[[5-chloro-6-(4-fluorophenoxy)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnc(Oc2ccc(F)cc2)c(Cl)c1
InChIInChI=1S/C15H16ClFN2O/c1-2-7-18-9-11-8-14(16)15(19-10-11)20-13-5-3-12(17)4-6-13/h3-6,8,10,18H,2,7,9H2,1H3
InChIKeyXHLJTCRXBNMNNX-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-[[6-(2-bromo-4-fluorophenoxy)-5-chloro-3-pyridinyl]methyl]propan-1-amine
CID 62298131
N-[[5-chloro-6-(2-chlorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62297479
N-[[6-(3-fluoro-4-methylphenoxy)-5-methyl-3-pyridinyl]methyl]propan-1-amine
CID 107169889
N-[[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 82007112
N-[[4-(2-chloro-4-fluorophenoxy)phenyl]methyl]propan-1-amine
CID 63551840
ethyl 3-[[5-chloro-6-(4-methylphenoxy)-3-pyridinyl]methylamino]propanoate
CID 118176702
N-[[5-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-1-amine
CID 66275529
N-[[5-chloro-6-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62290699
1-[[3-chloro-5-(propylaminomethyl)-2-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine
CID 79679769
N-[[4-(4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81250354
N-[[5-chloro-6-(oxan-4-yloxy)-3-pyridinyl]methyl]propan-1-amine
CID 62287711
N-[[6-(3-bromophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine
CID 55058464

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-6-(4-fluorophenoxy)-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[5-chloro-6-(4-fluorophenoxy)-3-pyridinyl]methyl]propan-1-amine (CID 62295927) is N-[[5-chloro-6-(4-fluorophenoxy)-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-chloro-6-(4-fluorophenoxy)-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-chloro-6-(4-fluorophenoxy)-3-pyridinyl]methyl]propan-1-amine is CCCNCc1cnc(Oc2ccc(F)cc2)c(Cl)c1.
What is the InChIKey of N-[[5-chloro-6-(4-fluorophenoxy)-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is XHLJTCRXBNMNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O/c1-2-7-18-9-11-8-14(16)15(19-10-11)20-13-5-3-12(17)4-6-13/h3-6,8,10,18H,2,7,9H2,1H3.
What are the key properties of N-[[5-chloro-6-(4-fluorophenoxy)-3-pyridinyl]methyl]propan-1-amine?
N-[[5-chloro-6-(4-fluorophenoxy)-3-pyridinyl]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-[[5-chloro-6-(4-fluorophenoxy)-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 62295927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).