N-[(2-fluorophenyl)methyl]-1-pyridin-3-yl-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]methanamine

C26H24FN3O — CID 16671999

IUPACN-[(2-fluorophenyl)methyl]-1-pyridin-3-yl-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]methanamine
SMILESFc1ccccc1CN(Cc1cccnc1)Cc1ccccc1OCc1ccccn1
InChIInChI=1S/C26H24FN3O/c27-25-12-3-1-9-22(25)18-30(17-21-8-7-14-28-16-21)19-23-10-2-4-13-26(23)31-20-24-11-5-6-15-29-24/h1-16H,17-20H2
InChIKeyLQVVSNHQWPPMFU-UHFFFAOYSA-N
MW413.50 g/mol
LogP5.40
Rot. Bonds9

About N-[(2-fluorophenyl)methyl]-1-pyridin-3-yl-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]methanamine

N-[(2-fluorophenyl)methyl]-1-pyridin-3-yl-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]methanamine (PubChem CID 16671999) has the molecular formula C26H24FN3O and a molecular weight of 413.50 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-1-pyridin-3-yl-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]methanamine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-1-pyridin-3-yl-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]methanamine
PubChem CID16671999
Molecular FormulaC26H24FN3O
Molecular Weight413.50 g/mol
Exact Mass413.19
IUPAC NameN-[(2-fluorophenyl)methyl]-1-pyridin-3-yl-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]methanamine
SMILESFc1ccccc1CN(Cc1cccnc1)Cc1ccccc1OCc1ccccn1
InChIInChI=1S/C26H24FN3O/c27-25-12-3-1-9-22(25)18-30(17-21-8-7-14-28-16-21)19-23-10-2-4-13-26(23)31-20-24-11-5-6-15-29-24/h1-16H,17-20H2
InChIKeyLQVVSNHQWPPMFU-UHFFFAOYSA-N
XLogP5.40
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.50
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-1-pyridin-3-yl-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]methanamine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-1-pyridin-3-yl-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]methanamine (CID 16671999) is N-[(2-fluorophenyl)methyl]-1-pyridin-3-yl-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]methanamine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-1-pyridin-3-yl-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]methanamine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-1-pyridin-3-yl-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]methanamine is Fc1ccccc1CN(Cc1cccnc1)Cc1ccccc1OCc1ccccn1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-1-pyridin-3-yl-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]methanamine?
The InChIKey is LQVVSNHQWPPMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O/c27-25-12-3-1-9-22(25)18-30(17-21-8-7-14-28-16-21)19-23-10-2-4-13-26(23)31-20-24-11-5-6-15-29-24/h1-16H,17-20H2.
What are the key properties of N-[(2-fluorophenyl)methyl]-1-pyridin-3-yl-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]methanamine?
N-[(2-fluorophenyl)methyl]-1-pyridin-3-yl-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]methanamine has a molecular weight of 413.50 g/mol, XLogP of 5.40, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-1-pyridin-3-yl-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]methanamine is sourced from PubChem (CID 16671999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).