N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride

C20H19BrClFN2O — CID 2967412

IUPACN-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride
SMILESCl.Fc1ccc(COc2ccc(Br)cc2CNCc2ccncc2)cc1
InChIInChI=1S/C20H18BrFN2O.ClH/c21-18-3-6-20(25-14-16-1-4-19(22)5-2-16)17(11-18)13-24-12-15-7-9-23-10-8-15;/h1-11,24H,12-14H2;1H
InChIKeyFNQSVXZRKGAWKW-UHFFFAOYSA-N
MW437.74 g/mol
LogP5.27
Rot. Bonds7

About N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride

N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride (PubChem CID 2967412) has the molecular formula C20H19BrClFN2O and a molecular weight of 437.74 g/mol. Its IUPAC name is N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride.

Molecular Properties

Compound NameN-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride
PubChem CID2967412
Molecular FormulaC20H19BrClFN2O
Molecular Weight437.74 g/mol
Exact Mass436.04
IUPAC NameN-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride
SMILESCl.Fc1ccc(COc2ccc(Br)cc2CNCc2ccncc2)cc1
InChIInChI=1S/C20H18BrFN2O.ClH/c21-18-3-6-20(25-14-16-1-4-19(22)5-2-16)17(11-18)13-24-12-15-7-9-23-10-8-15;/h1-11,24H,12-14H2;1H
InChIKeyFNQSVXZRKGAWKW-UHFFFAOYSA-N
XLogP5.27
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.74
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-bromo-2-[(4-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-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride?
The IUPAC name of N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride (CID 2967412) is N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride.
What is the SMILES notation for N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride?
The canonical SMILES for N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride is Cl.Fc1ccc(COc2ccc(Br)cc2CNCc2ccncc2)cc1.
What is the InChIKey of N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride?
The InChIKey is FNQSVXZRKGAWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrFN2O.ClH/c21-18-3-6-20(25-14-16-1-4-19(22)5-2-16)17(11-18)13-24-12-15-7-9-23-10-8-15;/h1-11,24H,12-14H2;1H.
What are the key properties of N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride?
N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride has a molecular weight of 437.74 g/mol, XLogP of 5.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride is sourced from PubChem (CID 2967412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).