3-[1-(2,6-dichlorophenyl)ethoxy]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine

C24H25Cl2N3O — CID 174502015

About 3-[1-(2,6-dichlorophenyl)ethoxy]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine

3-[1-(2,6-dichlorophenyl)ethoxy]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine (PubChem CID 174502015) has the molecular formula C24H25Cl2N3O and a molecular weight of 442.39 g/mol. Its IUPAC name is 3-[1-(2,6-dichlorophenyl)ethoxy]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine.

Molecular Properties

• Compound Name: 3-[1-(2,6-dichlorophenyl)ethoxy]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine
• PubChem CID: 174502015
• Molecular Formula: C24H25Cl2N3O
• Molecular Weight: 442.39 g/mol
• Exact Mass: 441.14
• IUPAC Name: 3-[1-(2,6-dichlorophenyl)ethoxy]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine
• SMILES: CC(Oc1cc(-c2ccc(CN3CCCC3)cc2)cnc1N)c1c(Cl)cccc1Cl
• InChI: InChI=1S/C24H25Cl2N3O/c1-16(23-20(25)5-4-6-21(23)26)30-22-13-19(14-28-24(22)27)18-9-7-17(8-10-18)15-29-11-2-3-12-29/h4-10,13-14,16H,2-3,11-12,15H2,1H3,(H2,27,28)
• InChIKey: VSUIGFAZNWOJTA-UHFFFAOYSA-N
• XLogP: 6.37
• TPSA: 51.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	442.39
LogP ≤ 5	6.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,6-dichlorophenyl)ethoxy]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine?

The IUPAC name of 3-[1-(2,6-dichlorophenyl)ethoxy]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine (CID 174502015) is 3-[1-(2,6-dichlorophenyl)ethoxy]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine.

What is the SMILES notation for 3-[1-(2,6-dichlorophenyl)ethoxy]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine?

The canonical SMILES for 3-[1-(2,6-dichlorophenyl)ethoxy]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine is CC(Oc1cc(-c2ccc(CN3CCCC3)cc2)cnc1N)c1c(Cl)cccc1Cl.

What is the InChIKey of 3-[1-(2,6-dichlorophenyl)ethoxy]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine?

The InChIKey is VSUIGFAZNWOJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2N3O/c1-16(23-20(25)5-4-6-21(23)26)30-22-13-19(14-28-24(22)27)18-9-7-17(8-10-18)15-29-11-2-3-12-29/h4-10,13-14,16H,2-3,11-12,15H2,1H3,(H2,27,28).

What are the key properties of 3-[1-(2,6-dichlorophenyl)ethoxy]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine?

3-[1-(2,6-dichlorophenyl)ethoxy]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine has a molecular weight of 442.39 g/mol, XLogP of 6.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(2,6-dichlorophenyl)ethoxy]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine is sourced from PubChem (CID 174502015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).