N-[[6-(2-chloro-4-fluorophenoxy)-2-pyridinyl]methyl]propan-2-amine

C15H16ClFN2O — CID 62298078

IUPACN-[[6-(2-chloro-4-fluorophenoxy)-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc(Oc2ccc(F)cc2Cl)n1
InChIInChI=1S/C15H16ClFN2O/c1-10(2)18-9-12-4-3-5-15(19-12)20-14-7-6-11(17)8-13(14)16/h3-8,10,18H,9H2,1-2H3
InChIKeyBPTQLGTZHVZREL-UHFFFAOYSA-N
MW294.76 g/mol
LogP4.16
Rot. Bonds5

About N-[[6-(2-chloro-4-fluorophenoxy)-2-pyridinyl]methyl]propan-2-amine

N-[[6-(2-chloro-4-fluorophenoxy)-2-pyridinyl]methyl]propan-2-amine (PubChem CID 62298078) has the molecular formula C15H16ClFN2O and a molecular weight of 294.76 g/mol. Its IUPAC name is N-[[6-(2-chloro-4-fluorophenoxy)-2-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-(2-chloro-4-fluorophenoxy)-2-pyridinyl]methyl]propan-2-amine
PubChem CID62298078
Molecular FormulaC15H16ClFN2O
Molecular Weight294.76 g/mol
Exact Mass294.09
IUPAC NameN-[[6-(2-chloro-4-fluorophenoxy)-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc(Oc2ccc(F)cc2Cl)n1
InChIInChI=1S/C15H16ClFN2O/c1-10(2)18-9-12-4-3-5-15(19-12)20-14-7-6-11(17)8-13(14)16/h3-8,10,18H,9H2,1-2H3
InChIKeyBPTQLGTZHVZREL-UHFFFAOYSA-N
XLogP4.16
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[6-(2-chloro-4-fluorophenoxy)-2-pyridinyl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[6-[(2-chloro-4-fluorophenoxy)methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106907860
N-[[6-(2,3-difluorophenoxy)-2-pyridinyl]methyl]propan-2-amine
CID 63038557
N-[[4-(2-chloro-4-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 63552019
N-[[6-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62298102
N-tert-butyl-6-(2-chloro-4-fluorophenoxy)pyridin-2-amine
CID 115498675
N-[[6-(2,4-dichlorophenoxy)pyrazin-2-yl]methyl]propan-2-amine
CID 66450434
6-(2-chloro-4-fluorophenoxy)-N-propylpyridin-2-amine
CID 80867556
N-[(6-propan-2-yloxy-2-pyridinyl)methyl]propan-2-amine
CID 62290162
N-[[3-chloro-4-(2-fluoro-3-methylphenoxy)phenyl]methyl]propan-2-amine
CID 107659648
N-[[6-(2-chlorophenoxy)-2-pyridinyl]methyl]ethanamine
CID 62295900
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

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-chloro-4-fluorophenoxy)-2-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[6-(2-chloro-4-fluorophenoxy)-2-pyridinyl]methyl]propan-2-amine (CID 62298078) is N-[[6-(2-chloro-4-fluorophenoxy)-2-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-(2-chloro-4-fluorophenoxy)-2-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-(2-chloro-4-fluorophenoxy)-2-pyridinyl]methyl]propan-2-amine is CC(C)NCc1cccc(Oc2ccc(F)cc2Cl)n1.
What is the InChIKey of N-[[6-(2-chloro-4-fluorophenoxy)-2-pyridinyl]methyl]propan-2-amine?
The InChIKey is BPTQLGTZHVZREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O/c1-10(2)18-9-12-4-3-5-15(19-12)20-14-7-6-11(17)8-13(14)16/h3-8,10,18H,9H2,1-2H3.
What are the key properties of N-[[6-(2-chloro-4-fluorophenoxy)-2-pyridinyl]methyl]propan-2-amine?
N-[[6-(2-chloro-4-fluorophenoxy)-2-pyridinyl]methyl]propan-2-amine has a molecular weight of 294.76 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-chloro-4-fluorophenoxy)-2-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 62298078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).