N'-[2-(3,4-dichlorophenyl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexane-1,6-diamine;hydrochloride

C24H35Cl3N2O2 — CID 44522461

IUPACN'-[2-(3,4-dichlorophenyl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexane-1,6-diamine;hydrochloride
SMILESCOc1ccc(CCNCCCCCCNCCc2ccc(Cl)c(Cl)c2)cc1OC.Cl
InChIInChI=1S/C24H34Cl2N2O2.ClH/c1-29-23-10-8-20(18-24(23)30-2)12-16-28-14-6-4-3-5-13-27-15-11-19-7-9-21(25)22(26)17-19;/h7-10,17-18,27-28H,3-6,11-16H2,1-2H3;1H
InChIKeyDTPHWVXXKVIINY-UHFFFAOYSA-N
MW489.92 g/mol
LogP5.96
Rot. Bonds15

About N'-[2-(3,4-dichlorophenyl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexane-1,6-diamine;hydrochloride

N'-[2-(3,4-dichlorophenyl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexane-1,6-diamine;hydrochloride (PubChem CID 44522461) has the molecular formula C24H35Cl3N2O2 and a molecular weight of 489.92 g/mol. Its IUPAC name is N'-[2-(3,4-dichlorophenyl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexane-1,6-diamine;hydrochloride.

Molecular Properties

Compound NameN'-[2-(3,4-dichlorophenyl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexane-1,6-diamine;hydrochloride
PubChem CID44522461
Molecular FormulaC24H35Cl3N2O2
Molecular Weight489.92 g/mol
Exact Mass488.18
IUPAC NameN'-[2-(3,4-dichlorophenyl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexane-1,6-diamine;hydrochloride
SMILESCOc1ccc(CCNCCCCCCNCCc2ccc(Cl)c(Cl)c2)cc1OC.Cl
InChIInChI=1S/C24H34Cl2N2O2.ClH/c1-29-23-10-8-20(18-24(23)30-2)12-16-28-14-6-4-3-5-13-27-15-11-19-7-9-21(25)22(26)17-19;/h7-10,17-18,27-28H,3-6,11-16H2,1-2H3;1H
InChIKeyDTPHWVXXKVIINY-UHFFFAOYSA-N
XLogP5.96
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.92
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-chlorophenyl)propyl]-N'-[2-(3,4-dimethoxyphenyl)ethyl]pentane-1,5-diamine
CID 44522466
N-[2-(4-aminophenyl)ethyl]-N'-[2-(3,4-dimethoxyphenyl)ethyl]hexane-1,6-diamine;trihydrochloride
CID 70044329
N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpropane-1,3-diamine
CID 19926627
N'-[2-(3-chloro-4-methoxyphenyl)ethyl]propane-1,3-diamine
CID 115197303
N'-[2-(3,4-dichlorophenyl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanediamide
CID 19860206
N-[(2,6-dichlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)ethanamine;hydrochloride
CID 17290505
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-2-(3,4-dimethoxyphenyl)ethanamine
CID 4717465
2-(4-chlorophenyl)-N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine;hydrochloride
CID 17208614
methyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]butanoate
CID 43377806
5-[2-(3,4-dimethoxyphenyl)ethylamino]-N'-hydroxypentanimidamide
CID 77025166
N-[(3-chloro-4,5-diethoxyphenyl)methyl]-2-(3,4-dimethoxyphenyl)ethanamine;hydrochloride
CID 17292155
1-(2-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethylamino]ethanol;hydrochloride
CID 21406688

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,4-dichlorophenyl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexane-1,6-diamine;hydrochloride?
The IUPAC name of N'-[2-(3,4-dichlorophenyl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexane-1,6-diamine;hydrochloride (CID 44522461) is N'-[2-(3,4-dichlorophenyl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexane-1,6-diamine;hydrochloride.
What is the SMILES notation for N'-[2-(3,4-dichlorophenyl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexane-1,6-diamine;hydrochloride?
The canonical SMILES for N'-[2-(3,4-dichlorophenyl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexane-1,6-diamine;hydrochloride is COc1ccc(CCNCCCCCCNCCc2ccc(Cl)c(Cl)c2)cc1OC.Cl.
What is the InChIKey of N'-[2-(3,4-dichlorophenyl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexane-1,6-diamine;hydrochloride?
The InChIKey is DTPHWVXXKVIINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34Cl2N2O2.ClH/c1-29-23-10-8-20(18-24(23)30-2)12-16-28-14-6-4-3-5-13-27-15-11-19-7-9-21(25)22(26)17-19;/h7-10,17-18,27-28H,3-6,11-16H2,1-2H3;1H.
What are the key properties of N'-[2-(3,4-dichlorophenyl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexane-1,6-diamine;hydrochloride?
N'-[2-(3,4-dichlorophenyl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexane-1,6-diamine;hydrochloride has a molecular weight of 489.92 g/mol, XLogP of 5.96, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,4-dichlorophenyl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexane-1,6-diamine;hydrochloride is sourced from PubChem (CID 44522461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).