N'-(2-phenylethyl)-N'-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]ethane-1,2-diamine;dihydrochloride

C23H29Cl2N3O — CID 120871869

IUPACN'-(2-phenylethyl)-N'-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]ethane-1,2-diamine;dihydrochloride
SMILESCl.Cl.NCCN(CCc1ccccc1)Cc1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C23H27N3O.2ClH/c24-14-17-26(16-13-20-6-2-1-3-7-20)18-21-9-11-23(12-10-21)27-19-22-8-4-5-15-25-22;;/h1-12,15H,13-14,16-19,24H2;2*1H
InChIKeyFFDOVZDVHDXZMS-UHFFFAOYSA-N
MW434.41 g/mol
LogP4.51
Rot. Bonds10

About N'-(2-phenylethyl)-N'-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]ethane-1,2-diamine;dihydrochloride

N'-(2-phenylethyl)-N'-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]ethane-1,2-diamine;dihydrochloride (PubChem CID 120871869) has the molecular formula C23H29Cl2N3O and a molecular weight of 434.41 g/mol. Its IUPAC name is N'-(2-phenylethyl)-N'-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]ethane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound NameN'-(2-phenylethyl)-N'-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]ethane-1,2-diamine;dihydrochloride
PubChem CID120871869
Molecular FormulaC23H29Cl2N3O
Molecular Weight434.41 g/mol
Exact Mass433.17
IUPAC NameN'-(2-phenylethyl)-N'-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]ethane-1,2-diamine;dihydrochloride
SMILESCl.Cl.NCCN(CCc1ccccc1)Cc1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C23H27N3O.2ClH/c24-14-17-26(16-13-20-6-2-1-3-7-20)18-21-9-11-23(12-10-21)27-19-22-8-4-5-15-25-22;;/h1-12,15H,13-14,16-19,24H2;2*1H
InChIKeyFFDOVZDVHDXZMS-UHFFFAOYSA-N
XLogP4.51
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.41
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N'-(2-phenylethyl)-N'-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]ethane-1,2-diamine;dihydrochloride with MolForge

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Related Compounds

N'-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;dihydrochloride
CID 120872637
3-[4-(pyridin-2-ylmethoxy)phenyl]propan-1-amine
CID 117095285
N'-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120912672
N'-benzyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
CID 107367067
N'-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120912627
N-benzyl-N-(2-chloroethyl)-2-pyridin-2-ylethanamine;hydrochloride
CID 3053599
N'-[2-[2-aminoethyl(pyridin-2-ylmethyl)amino]ethyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 141183733
N-[[4-[[bis(2-phenylethyl)amino]methyl]phenyl]methyl]-2-phenyl-N-(2-phenylethyl)ethanamine
CID 59482591
N'-(2-phenylethyl)-N'-(quinolin-3-ylmethyl)ethane-1,2-diamine;hydrochloride
CID 120912617
N',N'-dibenzylethane-1,2-diamine;hydrochloride
CID 6460674
N'-[(6-ethoxy-2-pyridinyl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120912540
N'-[(1-methylbenzimidazol-5-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120912918

Frequently Asked Questions

What is the IUPAC name of N'-(2-phenylethyl)-N'-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]ethane-1,2-diamine;dihydrochloride?
The IUPAC name of N'-(2-phenylethyl)-N'-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]ethane-1,2-diamine;dihydrochloride (CID 120871869) is N'-(2-phenylethyl)-N'-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]ethane-1,2-diamine;dihydrochloride.
What is the SMILES notation for N'-(2-phenylethyl)-N'-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]ethane-1,2-diamine;dihydrochloride?
The canonical SMILES for N'-(2-phenylethyl)-N'-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]ethane-1,2-diamine;dihydrochloride is Cl.Cl.NCCN(CCc1ccccc1)Cc1ccc(OCc2ccccn2)cc1.
What is the InChIKey of N'-(2-phenylethyl)-N'-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]ethane-1,2-diamine;dihydrochloride?
The InChIKey is FFDOVZDVHDXZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O.2ClH/c24-14-17-26(16-13-20-6-2-1-3-7-20)18-21-9-11-23(12-10-21)27-19-22-8-4-5-15-25-22;;/h1-12,15H,13-14,16-19,24H2;2*1H.
What are the key properties of N'-(2-phenylethyl)-N'-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]ethane-1,2-diamine;dihydrochloride?
N'-(2-phenylethyl)-N'-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]ethane-1,2-diamine;dihydrochloride has a molecular weight of 434.41 g/mol, XLogP of 4.51, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-phenylethyl)-N'-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]ethane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 120871869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).