N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine

C18H25N3O — CID 155545318

IUPACN'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine
SMILESCOc1ccc(CCN(CCN(C)C)c2ccccn2)cc1
InChIInChI=1S/C18H25N3O/c1-20(2)14-15-21(18-6-4-5-12-19-18)13-11-16-7-9-17(22-3)10-8-16/h4-10,12H,11,13-15H2,1-3H3
InChIKeyILDRWCXOUQSXKM-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.70
Rot. Bonds8

About N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine

N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine (PubChem CID 155545318) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine
PubChem CID155545318
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC NameN'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine
SMILESCOc1ccc(CCN(CCN(C)C)c2ccccn2)cc1
InChIInChI=1S/C18H25N3O/c1-20(2)14-15-21(18-6-4-5-12-19-18)13-11-16-7-9-17(22-3)10-8-16/h4-10,12H,11,13-15H2,1-3H3
InChIKeyILDRWCXOUQSXKM-UHFFFAOYSA-N
XLogP2.70
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine?
The IUPAC name of N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine (CID 155545318) is N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine?
The canonical SMILES for N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine is COc1ccc(CCN(CCN(C)C)c2ccccn2)cc1.
What is the InChIKey of N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine?
The InChIKey is ILDRWCXOUQSXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-20(2)14-15-21(18-6-4-5-12-19-18)13-11-16-7-9-17(22-3)10-8-16/h4-10,12H,11,13-15H2,1-3H3.
What are the key properties of N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine?
N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine has a molecular weight of 299.42 g/mol, XLogP of 2.70, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine is sourced from PubChem (CID 155545318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).