N'-(5-chloro-2-pyridinyl)-N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethylethane-1,2-diamine

C18H24ClN3O — CID 155517226

IUPACN'-(5-chloro-2-pyridinyl)-N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethylethane-1,2-diamine
SMILESCOc1ccc(CCN(CCN(C)C)c2ccc(Cl)cn2)cc1
InChIInChI=1S/C18H24ClN3O/c1-21(2)12-13-22(18-9-6-16(19)14-20-18)11-10-15-4-7-17(23-3)8-5-15/h4-9,14H,10-13H2,1-3H3
InChIKeyXXPUIILTBWPQMY-UHFFFAOYSA-N
MW333.86 g/mol
LogP3.35
Rot. Bonds8

About N'-(5-chloro-2-pyridinyl)-N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethylethane-1,2-diamine

N'-(5-chloro-2-pyridinyl)-N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethylethane-1,2-diamine (PubChem CID 155517226) has the molecular formula C18H24ClN3O and a molecular weight of 333.86 g/mol. Its IUPAC name is N'-(5-chloro-2-pyridinyl)-N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(5-chloro-2-pyridinyl)-N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethylethane-1,2-diamine
PubChem CID155517226
Molecular FormulaC18H24ClN3O
Molecular Weight333.86 g/mol
Exact Mass333.16
IUPAC NameN'-(5-chloro-2-pyridinyl)-N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethylethane-1,2-diamine
SMILESCOc1ccc(CCN(CCN(C)C)c2ccc(Cl)cn2)cc1
InChIInChI=1S/C18H24ClN3O/c1-21(2)12-13-22(18-9-6-16(19)14-20-18)11-10-15-4-7-17(23-3)8-5-15/h4-9,14H,10-13H2,1-3H3
InChIKeyXXPUIILTBWPQMY-UHFFFAOYSA-N
XLogP3.35
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-pyridinyl)-N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethylethane-1,2-diamine?
The IUPAC name of N'-(5-chloro-2-pyridinyl)-N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethylethane-1,2-diamine (CID 155517226) is N'-(5-chloro-2-pyridinyl)-N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-(5-chloro-2-pyridinyl)-N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for N'-(5-chloro-2-pyridinyl)-N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethylethane-1,2-diamine is COc1ccc(CCN(CCN(C)C)c2ccc(Cl)cn2)cc1.
What is the InChIKey of N'-(5-chloro-2-pyridinyl)-N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethylethane-1,2-diamine?
The InChIKey is XXPUIILTBWPQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O/c1-21(2)12-13-22(18-9-6-16(19)14-20-18)11-10-15-4-7-17(23-3)8-5-15/h4-9,14H,10-13H2,1-3H3.
What are the key properties of N'-(5-chloro-2-pyridinyl)-N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethylethane-1,2-diamine?
N'-(5-chloro-2-pyridinyl)-N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethylethane-1,2-diamine has a molecular weight of 333.86 g/mol, XLogP of 3.35, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-pyridinyl)-N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 155517226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).