N-[3-(4-chlorophenyl)propyl]-N'-[2-(3,4-dimethoxyphenyl)ethyl]pentane-1,5-diamine

C24H35ClN2O2 — CID 44522466

IUPACN-[3-(4-chlorophenyl)propyl]-N'-[2-(3,4-dimethoxyphenyl)ethyl]pentane-1,5-diamine
SMILESCOc1ccc(CCNCCCCCNCCCc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C24H35ClN2O2/c1-28-23-13-10-21(19-24(23)29-2)14-18-27-16-5-3-4-15-26-17-6-7-20-8-11-22(25)12-9-20/h8-13,19,26-27H,3-7,14-18H2,1-2H3
InChIKeyRRASNXXYWBCMGB-UHFFFAOYSA-N
MW419.01 g/mol
LogP4.88
Rot. Bonds15

About N-[3-(4-chlorophenyl)propyl]-N'-[2-(3,4-dimethoxyphenyl)ethyl]pentane-1,5-diamine

N-[3-(4-chlorophenyl)propyl]-N'-[2-(3,4-dimethoxyphenyl)ethyl]pentane-1,5-diamine (PubChem CID 44522466) has the molecular formula C24H35ClN2O2 and a molecular weight of 419.01 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)propyl]-N'-[2-(3,4-dimethoxyphenyl)ethyl]pentane-1,5-diamine.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)propyl]-N'-[2-(3,4-dimethoxyphenyl)ethyl]pentane-1,5-diamine
PubChem CID44522466
Molecular FormulaC24H35ClN2O2
Molecular Weight419.01 g/mol
Exact Mass418.24
IUPAC NameN-[3-(4-chlorophenyl)propyl]-N'-[2-(3,4-dimethoxyphenyl)ethyl]pentane-1,5-diamine
SMILESCOc1ccc(CCNCCCCCNCCCc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C24H35ClN2O2/c1-28-23-13-10-21(19-24(23)29-2)14-18-27-16-5-3-4-15-26-17-6-7-20-8-11-22(25)12-9-20/h8-13,19,26-27H,3-7,14-18H2,1-2H3
InChIKeyRRASNXXYWBCMGB-UHFFFAOYSA-N
XLogP4.88
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.01
LogP ≤ 54.88
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'-[2-(3,4-dichlorophenyl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexane-1,6-diamine;hydrochloride
CID 44522461
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,N'-bis[2-(4-chlorophenyl)ethyl]hexane-1,6-diamine;dihydrobromide
CID 3028564
N,N'-bis[2-(4-chlorophenyl)ethyl]octane-1,8-diamine;dihydrobromide
CID 3029595
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108891453
1-(4-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethylamino]ethanone
CID 110823596
N'-[2-(3-chloro-4-methoxyphenyl)ethyl]propane-1,3-diamine
CID 115197303
2-(4-chlorophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]ethanamine
CID 17208570
methyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]butanoate
CID 43377806
5-[2-(3,4-dimethoxyphenyl)ethylamino]-N'-hydroxypentanimidamide
CID 77025166
2-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine
CID 2163779

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)propyl]-N'-[2-(3,4-dimethoxyphenyl)ethyl]pentane-1,5-diamine?
The IUPAC name of N-[3-(4-chlorophenyl)propyl]-N'-[2-(3,4-dimethoxyphenyl)ethyl]pentane-1,5-diamine (CID 44522466) is N-[3-(4-chlorophenyl)propyl]-N'-[2-(3,4-dimethoxyphenyl)ethyl]pentane-1,5-diamine.
What is the SMILES notation for N-[3-(4-chlorophenyl)propyl]-N'-[2-(3,4-dimethoxyphenyl)ethyl]pentane-1,5-diamine?
The canonical SMILES for N-[3-(4-chlorophenyl)propyl]-N'-[2-(3,4-dimethoxyphenyl)ethyl]pentane-1,5-diamine is COc1ccc(CCNCCCCCNCCCc2ccc(Cl)cc2)cc1OC.
What is the InChIKey of N-[3-(4-chlorophenyl)propyl]-N'-[2-(3,4-dimethoxyphenyl)ethyl]pentane-1,5-diamine?
The InChIKey is RRASNXXYWBCMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35ClN2O2/c1-28-23-13-10-21(19-24(23)29-2)14-18-27-16-5-3-4-15-26-17-6-7-20-8-11-22(25)12-9-20/h8-13,19,26-27H,3-7,14-18H2,1-2H3.
What are the key properties of N-[3-(4-chlorophenyl)propyl]-N'-[2-(3,4-dimethoxyphenyl)ethyl]pentane-1,5-diamine?
N-[3-(4-chlorophenyl)propyl]-N'-[2-(3,4-dimethoxyphenyl)ethyl]pentane-1,5-diamine has a molecular weight of 419.01 g/mol, XLogP of 4.88, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)propyl]-N'-[2-(3,4-dimethoxyphenyl)ethyl]pentane-1,5-diamine is sourced from PubChem (CID 44522466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).