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

C20H20BrClN2O — CID 2968869

IUPACN-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride
SMILESBrc1ccc(OCc2ccccc2)c(CNCc2ccncc2)c1.Cl
InChIInChI=1S/C20H19BrN2O.ClH/c21-19-6-7-20(24-15-17-4-2-1-3-5-17)18(12-19)14-23-13-16-8-10-22-11-9-16;/h1-12,23H,13-15H2;1H
InChIKeyGLZUCKCFONXILL-UHFFFAOYSA-N
MW419.75 g/mol
LogP5.13
Rot. Bonds7

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

N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride (PubChem CID 2968869) has the molecular formula C20H20BrClN2O and a molecular weight of 419.75 g/mol. Its IUPAC name is N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride
PubChem CID2968869
Molecular FormulaC20H20BrClN2O
Molecular Weight419.75 g/mol
Exact Mass418.04
IUPAC NameN-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride
SMILESBrc1ccc(OCc2ccccc2)c(CNCc2ccncc2)c1.Cl
InChIInChI=1S/C20H19BrN2O.ClH/c21-19-6-7-20(24-15-17-4-2-1-3-5-17)18(12-19)14-23-13-16-8-10-22-11-9-16;/h1-12,23H,13-15H2;1H
InChIKeyGLZUCKCFONXILL-UHFFFAOYSA-N
XLogP5.13
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.75
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride?
The IUPAC name of N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride (CID 2968869) is N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride.
What is the SMILES notation for N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride?
The canonical SMILES for N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride is Brc1ccc(OCc2ccccc2)c(CNCc2ccncc2)c1.Cl.
What is the InChIKey of N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride?
The InChIKey is GLZUCKCFONXILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O.ClH/c21-19-6-7-20(24-15-17-4-2-1-3-5-17)18(12-19)14-23-13-16-8-10-22-11-9-16;/h1-12,23H,13-15H2;1H.
What are the key properties of N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride?
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride has a molecular weight of 419.75 g/mol, XLogP of 5.13, 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-phenylmethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride is sourced from PubChem (CID 2968869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).