1-(4-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride

C20H21ClN2O — CID 17294585

IUPAC1-(4-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
SMILESCl.c1ccc(COc2ccc(CNCc3ccccn3)cc2)cc1
InChIInChI=1S/C20H20N2O.ClH/c1-2-6-18(7-3-1)16-23-20-11-9-17(10-12-20)14-21-15-19-8-4-5-13-22-19;/h1-13,21H,14-16H2;1H
InChIKeyWAXIVGHZBMGEGR-UHFFFAOYSA-N
MW340.85 g/mol
LogP4.37
Rot. Bonds7

About 1-(4-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride

1-(4-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride (PubChem CID 17294585) has the molecular formula C20H21ClN2O and a molecular weight of 340.85 g/mol. Its IUPAC name is 1-(4-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride.

Molecular Properties

Compound Name1-(4-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
PubChem CID17294585
Molecular FormulaC20H21ClN2O
Molecular Weight340.85 g/mol
Exact Mass340.13
IUPAC Name1-(4-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
SMILESCl.c1ccc(COc2ccc(CNCc3ccccn3)cc2)cc1
InChIInChI=1S/C20H20N2O.ClH/c1-2-6-18(7-3-1)16-23-20-11-9-17(10-12-20)14-21-15-19-8-4-5-13-22-19;/h1-13,21H,14-16H2;1H
InChIKeyWAXIVGHZBMGEGR-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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Related Compounds

1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 6461106
1-[4-(methoxymethyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine
CID 60751892
N-benzyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 90740224
1-(3-ethoxy-4-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 6459415
1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 44782427
zinc;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;dihydrochloride
CID 73345757
azane;methane;[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methanamine
CID 158212763
2-[4-[(pyridin-2-ylmethylamino)methyl]phenyl]acetic acid
CID 103235916
4-phenylmethoxyphenol;pyridin-2-ylmethanol
CID 159945891
N-(furan-2-ylmethyl)-1-(4-phenylmethoxyphenyl)methanamine;hydrochloride
CID 2995197
2-[(4-phenylmethoxyphenyl)methylamino]ethanol
CID 2200287
2-(4-phenylmethoxyanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999304

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride?
The IUPAC name of 1-(4-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride (CID 17294585) is 1-(4-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride.
What is the SMILES notation for 1-(4-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride?
The canonical SMILES for 1-(4-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride is Cl.c1ccc(COc2ccc(CNCc3ccccn3)cc2)cc1.
What is the InChIKey of 1-(4-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride?
The InChIKey is WAXIVGHZBMGEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O.ClH/c1-2-6-18(7-3-1)16-23-20-11-9-17(10-12-20)14-21-15-19-8-4-5-13-22-19;/h1-13,21H,14-16H2;1H.
What are the key properties of 1-(4-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride?
1-(4-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-(4-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride is sourced from PubChem (CID 17294585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).