N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride

C20H20ClFN2O — CID 2982591

IUPACN-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride
SMILESCl.Fc1ccccc1COc1ccccc1CNCc1ccncc1
InChIInChI=1S/C20H19FN2O.ClH/c21-19-7-3-1-6-18(19)15-24-20-8-4-2-5-17(20)14-23-13-16-9-11-22-12-10-16;/h1-12,23H,13-15H2;1H
InChIKeySEHCBNYAYLFZSW-UHFFFAOYSA-N
MW358.84 g/mol
LogP4.51
Rot. Bonds7

About N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride

N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride (PubChem CID 2982591) has the molecular formula C20H20ClFN2O and a molecular weight of 358.84 g/mol. Its IUPAC name is N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride.

Molecular Properties

Compound NameN-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride
PubChem CID2982591
Molecular FormulaC20H20ClFN2O
Molecular Weight358.84 g/mol
Exact Mass358.12
IUPAC NameN-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride
SMILESCl.Fc1ccccc1COc1ccccc1CNCc1ccncc1
InChIInChI=1S/C20H19FN2O.ClH/c21-19-7-3-1-6-18(19)15-24-20-8-4-2-5-17(20)14-23-13-16-9-11-22-12-10-16;/h1-12,23H,13-15H2;1H
InChIKeySEHCBNYAYLFZSW-UHFFFAOYSA-N
XLogP4.51
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.84
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride?
The IUPAC name of N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride (CID 2982591) is N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride.
What is the SMILES notation for N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride?
The canonical SMILES for N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride is Cl.Fc1ccccc1COc1ccccc1CNCc1ccncc1.
What is the InChIKey of N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride?
The InChIKey is SEHCBNYAYLFZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O.ClH/c21-19-7-3-1-6-18(19)15-24-20-8-4-2-5-17(20)14-23-13-16-9-11-22-12-10-16;/h1-12,23H,13-15H2;1H.
What are the key properties of N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride?
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride has a molecular weight of 358.84 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride is sourced from PubChem (CID 2982591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).