N'-[(4-methoxyphenyl)methyl]-N-[2-[(4-methoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;hydrochloride

C20H30ClN3O2 — CID 54604345

IUPACN'-[(4-methoxyphenyl)methyl]-N-[2-[(4-methoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;hydrochloride
SMILESCOc1ccc(CNCCNCCNCc2ccc(OC)cc2)cc1.Cl
InChIInChI=1S/C20H29N3O2.ClH/c1-24-19-7-3-17(4-8-19)15-22-13-11-21-12-14-23-16-18-5-9-20(25-2)10-6-18;/h3-10,21-23H,11-16H2,1-2H3;1H
InChIKeyUKNQENGKDZGOAR-UHFFFAOYSA-N
MW379.93 g/mol
LogP2.59
Rot. Bonds12

About N'-[(4-methoxyphenyl)methyl]-N-[2-[(4-methoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;hydrochloride

N'-[(4-methoxyphenyl)methyl]-N-[2-[(4-methoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;hydrochloride (PubChem CID 54604345) has the molecular formula C20H30ClN3O2 and a molecular weight of 379.93 g/mol. Its IUPAC name is N'-[(4-methoxyphenyl)methyl]-N-[2-[(4-methoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound NameN'-[(4-methoxyphenyl)methyl]-N-[2-[(4-methoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;hydrochloride
PubChem CID54604345
Molecular FormulaC20H30ClN3O2
Molecular Weight379.93 g/mol
Exact Mass379.20
IUPAC NameN'-[(4-methoxyphenyl)methyl]-N-[2-[(4-methoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;hydrochloride
SMILESCOc1ccc(CNCCNCCNCc2ccc(OC)cc2)cc1.Cl
InChIInChI=1S/C20H29N3O2.ClH/c1-24-19-7-3-17(4-8-19)15-22-13-11-21-12-14-23-16-18-5-9-20(25-2)10-6-18;/h3-10,21-23H,11-16H2,1-2H3;1H
InChIKeyUKNQENGKDZGOAR-UHFFFAOYSA-N
XLogP2.59
TPSA54.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.93
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;dihydrochloride
CID 67859421
2-[(4-methoxyphenyl)methylamino]ethanol;hydrochloride
CID 17292349
2-[(4-methoxyphenyl)methylamino]ethanethiol
CID 14306201
N'-tert-butyl-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine
CID 54807228
2-(4-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 39388259
N-[(4-methoxyphenyl)methyl]-2-methylsulfanylethanamine
CID 60658332
2-[6-[(4-methoxyphenyl)methylamino]hexylamino]ethanol
CID 22006364
N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)ethanamine
CID 16753278
2-[(4-methoxyphenyl)methylamino]ethylurea
CID 83110239
N-(bromomethyl)-1-(4-methoxyphenyl)methanamine
CID 115261836
N-[[4-(chloromethyl)phenyl]methyl]-2-(4-methoxyphenyl)ethanamine
CID 107232979
(E)-N-[(4-methoxyphenyl)methyl]pent-3-en-1-amine
CID 115629053

Frequently Asked Questions

What is the IUPAC name of N'-[(4-methoxyphenyl)methyl]-N-[2-[(4-methoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;hydrochloride?
The IUPAC name of N'-[(4-methoxyphenyl)methyl]-N-[2-[(4-methoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;hydrochloride (CID 54604345) is N'-[(4-methoxyphenyl)methyl]-N-[2-[(4-methoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;hydrochloride.
What is the SMILES notation for N'-[(4-methoxyphenyl)methyl]-N-[2-[(4-methoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;hydrochloride?
The canonical SMILES for N'-[(4-methoxyphenyl)methyl]-N-[2-[(4-methoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;hydrochloride is COc1ccc(CNCCNCCNCc2ccc(OC)cc2)cc1.Cl.
What is the InChIKey of N'-[(4-methoxyphenyl)methyl]-N-[2-[(4-methoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;hydrochloride?
The InChIKey is UKNQENGKDZGOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2.ClH/c1-24-19-7-3-17(4-8-19)15-22-13-11-21-12-14-23-16-18-5-9-20(25-2)10-6-18;/h3-10,21-23H,11-16H2,1-2H3;1H.
What are the key properties of N'-[(4-methoxyphenyl)methyl]-N-[2-[(4-methoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;hydrochloride?
N'-[(4-methoxyphenyl)methyl]-N-[2-[(4-methoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;hydrochloride has a molecular weight of 379.93 g/mol, XLogP of 2.59, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-methoxyphenyl)methyl]-N-[2-[(4-methoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 54604345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).