5-(2-aminoethyl)-N-(2-methoxyphenyl)-N,3-dimethylpyridin-2-amine

C16H21N3O — CID 80634800

IUPAC5-(2-aminoethyl)-N-(2-methoxyphenyl)-N,3-dimethylpyridin-2-amine
SMILESCOc1ccccc1N(C)c1ncc(CCN)cc1C
InChIInChI=1S/C16H21N3O/c1-12-10-13(8-9-17)11-18-16(12)19(2)14-6-4-5-7-15(14)20-3/h4-7,10-11H,8-9,17H2,1-3H3
InChIKeyIESJUVKAEDJIRX-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.67
Rot. Bonds5

About 5-(2-aminoethyl)-N-(2-methoxyphenyl)-N,3-dimethylpyridin-2-amine

5-(2-aminoethyl)-N-(2-methoxyphenyl)-N,3-dimethylpyridin-2-amine (PubChem CID 80634800) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-(2-methoxyphenyl)-N,3-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-(2-methoxyphenyl)-N,3-dimethylpyridin-2-amine
PubChem CID80634800
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name5-(2-aminoethyl)-N-(2-methoxyphenyl)-N,3-dimethylpyridin-2-amine
SMILESCOc1ccccc1N(C)c1ncc(CCN)cc1C
InChIInChI=1S/C16H21N3O/c1-12-10-13(8-9-17)11-18-16(12)19(2)14-6-4-5-7-15(14)20-3/h4-7,10-11H,8-9,17H2,1-3H3
InChIKeyIESJUVKAEDJIRX-UHFFFAOYSA-N
XLogP2.67
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-(2-methoxyphenyl)-N,3-dimethylpyridin-2-amine?
The IUPAC name of 5-(2-aminoethyl)-N-(2-methoxyphenyl)-N,3-dimethylpyridin-2-amine (CID 80634800) is 5-(2-aminoethyl)-N-(2-methoxyphenyl)-N,3-dimethylpyridin-2-amine.
What is the SMILES notation for 5-(2-aminoethyl)-N-(2-methoxyphenyl)-N,3-dimethylpyridin-2-amine?
The canonical SMILES for 5-(2-aminoethyl)-N-(2-methoxyphenyl)-N,3-dimethylpyridin-2-amine is COc1ccccc1N(C)c1ncc(CCN)cc1C.
What is the InChIKey of 5-(2-aminoethyl)-N-(2-methoxyphenyl)-N,3-dimethylpyridin-2-amine?
The InChIKey is IESJUVKAEDJIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12-10-13(8-9-17)11-18-16(12)19(2)14-6-4-5-7-15(14)20-3/h4-7,10-11H,8-9,17H2,1-3H3.
What are the key properties of 5-(2-aminoethyl)-N-(2-methoxyphenyl)-N,3-dimethylpyridin-2-amine?
5-(2-aminoethyl)-N-(2-methoxyphenyl)-N,3-dimethylpyridin-2-amine has a molecular weight of 271.36 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-(2-methoxyphenyl)-N,3-dimethylpyridin-2-amine is sourced from PubChem (CID 80634800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).