1-(4-fluorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)methanamine

C20H20FN3O — CID 46988021

IUPAC1-(4-fluorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)methanamine
SMILESCOc1ccc(CN(Cc2ccncc2)Cc2ccc(F)cc2)cn1
InChIInChI=1S/C20H20FN3O/c1-25-20-7-4-18(12-23-20)15-24(14-17-8-10-22-11-9-17)13-16-2-5-19(21)6-3-16/h2-12H,13-15H2,1H3
InChIKeyOOLMPTFFKRYDOK-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.83
Rot. Bonds7

About 1-(4-fluorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)methanamine

1-(4-fluorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)methanamine (PubChem CID 46988021) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)methanamine
PubChem CID46988021
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Name1-(4-fluorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)methanamine
SMILESCOc1ccc(CN(Cc2ccncc2)Cc2ccc(F)cc2)cn1
InChIInChI=1S/C20H20FN3O/c1-25-20-7-4-18(12-23-20)15-24(14-17-8-10-22-11-9-17)13-16-2-5-19(21)6-3-16/h2-12H,13-15H2,1H3
InChIKeyOOLMPTFFKRYDOK-UHFFFAOYSA-N
XLogP3.83
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)methanamine?
The IUPAC name of 1-(4-fluorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)methanamine (CID 46988021) is 1-(4-fluorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)methanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)methanamine is COc1ccc(CN(Cc2ccncc2)Cc2ccc(F)cc2)cn1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)methanamine?
The InChIKey is OOLMPTFFKRYDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c1-25-20-7-4-18(12-23-20)15-24(14-17-8-10-22-11-9-17)13-16-2-5-19(21)6-3-16/h2-12H,13-15H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)methanamine?
1-(4-fluorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)methanamine has a molecular weight of 337.40 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)methanamine is sourced from PubChem (CID 46988021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).