1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-(pyridin-2-ylmethyl)methanamine;hydrochloride

C20H20Cl2N2O — CID 6461106

IUPAC1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
SMILESCl.Clc1ccccc1COc1ccc(CNCc2ccccn2)cc1
InChIInChI=1S/C20H19ClN2O.ClH/c21-20-7-2-1-5-17(20)15-24-19-10-8-16(9-11-19)13-22-14-18-6-3-4-12-23-18;/h1-12,22H,13-15H2;1H
InChIKeyPSPYXCHDJZJOGQ-UHFFFAOYSA-N
MW375.30 g/mol
LogP5.03
Rot. Bonds7

About 1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-(pyridin-2-ylmethyl)methanamine;hydrochloride

1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-(pyridin-2-ylmethyl)methanamine;hydrochloride (PubChem CID 6461106) has the molecular formula C20H20Cl2N2O and a molecular weight of 375.30 g/mol. Its IUPAC name is 1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-(pyridin-2-ylmethyl)methanamine;hydrochloride.

Molecular Properties

Compound Name1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
PubChem CID6461106
Molecular FormulaC20H20Cl2N2O
Molecular Weight375.30 g/mol
Exact Mass374.10
IUPAC Name1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
SMILESCl.Clc1ccccc1COc1ccc(CNCc2ccccn2)cc1
InChIInChI=1S/C20H19ClN2O.ClH/c21-20-7-2-1-5-17(20)15-24-19-10-8-16(9-11-19)13-22-14-18-6-3-4-12-23-18;/h1-12,22H,13-15H2;1H
InChIKeyPSPYXCHDJZJOGQ-UHFFFAOYSA-N
XLogP5.03
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.30
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine
CID 4721378
1-(4-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 17294585
1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17290312
1-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(pyridin-2-ylmethyl)methanamine
CID 4720614
1,4-bis[(2-chlorophenyl)methoxy]benzene
CID 18515510
5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylamino]pentan-1-ol;hydrochloride
CID 17211517
2-chloro-N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]aniline
CID 126186662
2-[2-[[4-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol;hydrochloride
CID 17155147
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride
CID 17292552
1-[4-(methoxymethyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine
CID 60751892
2-[3-[[4-[(2-chlorophenyl)methoxy]phenyl]methylamino]propylamino]ethanol
CID 17214037
1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 44782427

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-(pyridin-2-ylmethyl)methanamine;hydrochloride?
The IUPAC name of 1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-(pyridin-2-ylmethyl)methanamine;hydrochloride (CID 6461106) is 1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-(pyridin-2-ylmethyl)methanamine;hydrochloride.
What is the SMILES notation for 1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-(pyridin-2-ylmethyl)methanamine;hydrochloride?
The canonical SMILES for 1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-(pyridin-2-ylmethyl)methanamine;hydrochloride is Cl.Clc1ccccc1COc1ccc(CNCc2ccccn2)cc1.
What is the InChIKey of 1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-(pyridin-2-ylmethyl)methanamine;hydrochloride?
The InChIKey is PSPYXCHDJZJOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O.ClH/c21-20-7-2-1-5-17(20)15-24-19-10-8-16(9-11-19)13-22-14-18-6-3-4-12-23-18;/h1-12,22H,13-15H2;1H.
What are the key properties of 1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-(pyridin-2-ylmethyl)methanamine;hydrochloride?
1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-(pyridin-2-ylmethyl)methanamine;hydrochloride has a molecular weight of 375.30 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-(pyridin-2-ylmethyl)methanamine;hydrochloride is sourced from PubChem (CID 6461106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).