1-(3-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride

C20H21ClN2O — CID 6457497

IUPAC1-(3-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
SMILESCl.c1ccc(COc2cccc(CNCc3ccccn3)c2)cc1
InChIInChI=1S/C20H20N2O.ClH/c1-2-7-17(8-3-1)16-23-20-11-6-9-18(13-20)14-21-15-19-10-4-5-12-22-19;/h1-13,21H,14-16H2;1H
InChIKeyVXSWEYVJEJYHPH-UHFFFAOYSA-N
MW340.85 g/mol
LogP4.37
Rot. Bonds7

About 1-(3-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride

1-(3-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride (PubChem CID 6457497) has the molecular formula C20H21ClN2O and a molecular weight of 340.85 g/mol. Its IUPAC name is 1-(3-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride.

Molecular Properties

Compound Name1-(3-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
PubChem CID6457497
Molecular FormulaC20H21ClN2O
Molecular Weight340.85 g/mol
Exact Mass340.13
IUPAC Name1-(3-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
SMILESCl.c1ccc(COc2cccc(CNCc3ccccn3)c2)cc1
InChIInChI=1S/C20H20N2O.ClH/c1-2-7-17(8-3-1)16-23-20-11-6-9-18(13-20)14-21-15-19-10-4-5-12-22-19;/h1-13,21H,14-16H2;1H
InChIKeyVXSWEYVJEJYHPH-UHFFFAOYSA-N
XLogP4.37
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride?
The IUPAC name of 1-(3-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride (CID 6457497) is 1-(3-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride.
What is the SMILES notation for 1-(3-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride?
The canonical SMILES for 1-(3-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride is Cl.c1ccc(COc2cccc(CNCc3ccccn3)c2)cc1.
What is the InChIKey of 1-(3-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride?
The InChIKey is VXSWEYVJEJYHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O.ClH/c1-2-7-17(8-3-1)16-23-20-11-6-9-18(13-20)14-21-15-19-10-4-5-12-22-19;/h1-13,21H,14-16H2;1H.
What are the key properties of 1-(3-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride?
1-(3-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride has a molecular weight of 340.85 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride is sourced from PubChem (CID 6457497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).