1-[1-(4-fluorophenyl)pyrrolidin-3-yl]-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]methanamine

C24H26FN3O — CID 47631270

IUPAC1-[1-(4-fluorophenyl)pyrrolidin-3-yl]-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]methanamine
SMILESFc1ccc(N2CCC(CNCc3ccccc3OCc3cccnc3)C2)cc1
InChIInChI=1S/C24H26FN3O/c25-22-7-9-23(10-8-22)28-13-11-19(17-28)14-27-16-21-5-1-2-6-24(21)29-18-20-4-3-12-26-15-20/h1-10,12,15,19,27H,11,13-14,16-18H2
InChIKeyBKFANAHNXFANEY-UHFFFAOYSA-N
MW391.49 g/mol
LogP4.42
Rot. Bonds8

About 1-[1-(4-fluorophenyl)pyrrolidin-3-yl]-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]methanamine

1-[1-(4-fluorophenyl)pyrrolidin-3-yl]-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]methanamine (PubChem CID 47631270) has the molecular formula C24H26FN3O and a molecular weight of 391.49 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)pyrrolidin-3-yl]-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)pyrrolidin-3-yl]-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]methanamine
PubChem CID47631270
Molecular FormulaC24H26FN3O
Molecular Weight391.49 g/mol
Exact Mass391.21
IUPAC Name1-[1-(4-fluorophenyl)pyrrolidin-3-yl]-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]methanamine
SMILESFc1ccc(N2CCC(CNCc3ccccc3OCc3cccnc3)C2)cc1
InChIInChI=1S/C24H26FN3O/c25-22-7-9-23(10-8-22)28-13-11-19(17-28)14-27-16-21-5-1-2-6-24(21)29-18-20-4-3-12-26-15-20/h1-10,12,15,19,27H,11,13-14,16-18H2
InChIKeyBKFANAHNXFANEY-UHFFFAOYSA-N
XLogP4.42
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-(4-fluorophenyl)pyrrolidin-3-yl]-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-methylpiperidin-3-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]methanamine
CID 119125973
4-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol
CID 120963153
1-[(2R)-1-methylpyrrolidin-2-yl]-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]methanamine
CID 124684778
1-[3-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]propyl]piperidin-4-ol
CID 119111975
2-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]ethanol
CID 111421639
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 110414295
4-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]oxan-4-ol
CID 110935707
3-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]propan-1-ol
CID 110929258
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-piperidin-4-ylmethanamine;dihydrochloride
CID 17155048
2-(2-methylpiperidin-1-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine
CID 119111242
4-(4-fluorophenyl)-1-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]piperidin-4-ol;hydrochloride
CID 171700056
3-methyl-1-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]butan-2-ol
CID 111422039

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)pyrrolidin-3-yl]-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]methanamine?
The IUPAC name of 1-[1-(4-fluorophenyl)pyrrolidin-3-yl]-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]methanamine (CID 47631270) is 1-[1-(4-fluorophenyl)pyrrolidin-3-yl]-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]methanamine.
What is the SMILES notation for 1-[1-(4-fluorophenyl)pyrrolidin-3-yl]-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]methanamine?
The canonical SMILES for 1-[1-(4-fluorophenyl)pyrrolidin-3-yl]-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]methanamine is Fc1ccc(N2CCC(CNCc3ccccc3OCc3cccnc3)C2)cc1.
What is the InChIKey of 1-[1-(4-fluorophenyl)pyrrolidin-3-yl]-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]methanamine?
The InChIKey is BKFANAHNXFANEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O/c25-22-7-9-23(10-8-22)28-13-11-19(17-28)14-27-16-21-5-1-2-6-24(21)29-18-20-4-3-12-26-15-20/h1-10,12,15,19,27H,11,13-14,16-18H2.
What are the key properties of 1-[1-(4-fluorophenyl)pyrrolidin-3-yl]-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]methanamine?
1-[1-(4-fluorophenyl)pyrrolidin-3-yl]-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]methanamine has a molecular weight of 391.49 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)pyrrolidin-3-yl]-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]methanamine is sourced from PubChem (CID 47631270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).