N-[(2,4-dichlorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine

C15H16Cl2N2 — CID 779825

IUPACN-[(2,4-dichlorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine
SMILESCN(CCc1ccccn1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H16Cl2N2/c1-19(9-7-14-4-2-3-8-18-14)11-12-5-6-13(16)10-15(12)17/h2-6,8,10H,7,9,11H2,1H3
InChIKeyHQAVMESWNVLWPH-UHFFFAOYSA-N
MW295.21 g/mol
LogP4.06
Rot. Bonds5

About N-[(2,4-dichlorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine

N-[(2,4-dichlorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine (PubChem CID 779825) has the molecular formula C15H16Cl2N2 and a molecular weight of 295.21 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine
PubChem CID779825
Molecular FormulaC15H16Cl2N2
Molecular Weight295.21 g/mol
Exact Mass294.07
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine
SMILESCN(CCc1ccccn1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H16Cl2N2/c1-19(9-7-14-4-2-3-8-18-14)11-12-5-6-13(16)10-15(12)17/h2-6,8,10H,7,9,11H2,1H3
InChIKeyHQAVMESWNVLWPH-UHFFFAOYSA-N
XLogP4.06
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine (CID 779825) is N-[(2,4-dichlorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine is CN(CCc1ccccn1)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine?
The InChIKey is HQAVMESWNVLWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2/c1-19(9-7-14-4-2-3-8-18-14)11-12-5-6-13(16)10-15(12)17/h2-6,8,10H,7,9,11H2,1H3.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine?
N-[(2,4-dichlorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine has a molecular weight of 295.21 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine is sourced from PubChem (CID 779825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).