N',N'-diethyl-N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]ethane-1,2-diamine;dihydrochloride

C22H34Cl2N2O2 — CID 17294352

IUPACN',N'-diethyl-N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]ethane-1,2-diamine;dihydrochloride
SMILESCCN(CC)CCNCc1ccc(OCc2ccc(C)cc2)c(OC)c1.Cl.Cl
InChIInChI=1S/C22H32N2O2.2ClH/c1-5-24(6-2)14-13-23-16-20-11-12-21(22(15-20)25-4)26-17-19-9-7-18(3)8-10-19;;/h7-12,15,23H,5-6,13-14,16-17H2,1-4H3;2*1H
InChIKeyILNXMIOGNUMWGU-UHFFFAOYSA-N
MW429.43 g/mol
LogP4.86
Rot. Bonds11

About N',N'-diethyl-N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]ethane-1,2-diamine;dihydrochloride

N',N'-diethyl-N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]ethane-1,2-diamine;dihydrochloride (PubChem CID 17294352) has the molecular formula C22H34Cl2N2O2 and a molecular weight of 429.43 g/mol. Its IUPAC name is N',N'-diethyl-N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]ethane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound NameN',N'-diethyl-N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]ethane-1,2-diamine;dihydrochloride
PubChem CID17294352
Molecular FormulaC22H34Cl2N2O2
Molecular Weight429.43 g/mol
Exact Mass428.20
IUPAC NameN',N'-diethyl-N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]ethane-1,2-diamine;dihydrochloride
SMILESCCN(CC)CCNCc1ccc(OCc2ccc(C)cc2)c(OC)c1.Cl.Cl
InChIInChI=1S/C22H32N2O2.2ClH/c1-5-24(6-2)14-13-23-16-20-11-12-21(22(15-20)25-4)26-17-19-9-7-18(3)8-10-19;;/h7-12,15,23H,5-6,13-14,16-17H2,1-4H3;2*1H
InChIKeyILNXMIOGNUMWGU-UHFFFAOYSA-N
XLogP4.86
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.43
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N',N'-diethyl-N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]ethane-1,2-diamine
CID 4719869
N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]hexan-1-amine;hydrochloride
CID 17293936
N-[(3-ethoxy-4-methoxyphenyl)methyl]-N',N'-diethylethane-1,2-diamine;dihydrochloride
CID 17295740
N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]hexan-1-amine
CID 4719473
N',N'-diethyl-N-[(4-hexoxy-3-methoxyphenyl)methyl]ethane-1,2-diamine
CID 54849213
N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-N',N'-diethylethane-1,2-diamine
CID 4720435
N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-phenylethanamine
CID 4719341
N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-(4-methoxyphenyl)methanamine
CID 4725302
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine;dihydrochloride
CID 17294648
1-(4-fluorophenyl)-N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]methanamine
CID 4719742
N-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-methoxyethanamine;hydrochloride
CID 17055029
2-(2-fluorophenyl)-N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17294152

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]ethane-1,2-diamine;dihydrochloride?
The IUPAC name of N',N'-diethyl-N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]ethane-1,2-diamine;dihydrochloride (CID 17294352) is N',N'-diethyl-N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]ethane-1,2-diamine;dihydrochloride.
What is the SMILES notation for N',N'-diethyl-N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]ethane-1,2-diamine;dihydrochloride?
The canonical SMILES for N',N'-diethyl-N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]ethane-1,2-diamine;dihydrochloride is CCN(CC)CCNCc1ccc(OCc2ccc(C)cc2)c(OC)c1.Cl.Cl.
What is the InChIKey of N',N'-diethyl-N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]ethane-1,2-diamine;dihydrochloride?
The InChIKey is ILNXMIOGNUMWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2.2ClH/c1-5-24(6-2)14-13-23-16-20-11-12-21(22(15-20)25-4)26-17-19-9-7-18(3)8-10-19;;/h7-12,15,23H,5-6,13-14,16-17H2,1-4H3;2*1H.
What are the key properties of N',N'-diethyl-N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]ethane-1,2-diamine;dihydrochloride?
N',N'-diethyl-N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]ethane-1,2-diamine;dihydrochloride has a molecular weight of 429.43 g/mol, XLogP of 4.86, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]ethane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 17294352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).