1-(2,6-dichlorophenyl)-N-ethyl-2-pyridin-3-ylethanamine

C15H16Cl2N2 — CID 105034466

IUPAC1-(2,6-dichlorophenyl)-N-ethyl-2-pyridin-3-ylethanamine
SMILESCCNC(Cc1cccnc1)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H16Cl2N2/c1-2-19-14(9-11-5-4-8-18-10-11)15-12(16)6-3-7-13(15)17/h3-8,10,14,19H,2,9H2,1H3
InChIKeyVAPLRNVQVPAAMQ-UHFFFAOYSA-N
MW295.21 g/mol
LogP4.28
Rot. Bonds5

About 1-(2,6-dichlorophenyl)-N-ethyl-2-pyridin-3-ylethanamine

1-(2,6-dichlorophenyl)-N-ethyl-2-pyridin-3-ylethanamine (PubChem CID 105034466) has the molecular formula C15H16Cl2N2 and a molecular weight of 295.21 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-N-ethyl-2-pyridin-3-ylethanamine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-N-ethyl-2-pyridin-3-ylethanamine
PubChem CID105034466
Molecular FormulaC15H16Cl2N2
Molecular Weight295.21 g/mol
Exact Mass294.07
IUPAC Name1-(2,6-dichlorophenyl)-N-ethyl-2-pyridin-3-ylethanamine
SMILESCCNC(Cc1cccnc1)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H16Cl2N2/c1-2-19-14(9-11-5-4-8-18-10-11)15-12(16)6-3-7-13(15)17/h3-8,10,14,19H,2,9H2,1H3
InChIKeyVAPLRNVQVPAAMQ-UHFFFAOYSA-N
XLogP4.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dichlorophenyl)-N-ethyl-2-pyridin-3-ylethanamine
CID 62791096
1-(5-chlorofuran-2-yl)-N-ethyl-2-pyridin-3-ylethanamine
CID 106693011
1-(2,6-dichlorophenyl)-2-(3,4-dichlorophenyl)-N-ethylethanamine
CID 63527991
1-(3-chloro-2-fluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 104736743
1-(2-chlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 55086568
1-(2,3-dichlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 107308542
N-ethyl-1-(4-methylphenyl)-2-pyridin-3-ylethanamine
CID 62551907
N-ethyl-1-[3-(2-methylpropyl)phenyl]-2-pyridin-3-ylethanamine
CID 116544214
N-ethyl-2-pyridin-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105179874
1-(3-bromo-5-chlorophenyl)-N-ethyl-2-pyridin-3-ylethanamine
CID 107946692
N-ethyl-1-(2-ethylphenyl)-2-pyridin-3-ylethanamine
CID 105034649
1-(3-bromo-2-methylphenyl)-N-ethyl-2-pyridin-3-ylethanamine
CID 105034516

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-N-ethyl-2-pyridin-3-ylethanamine?
The IUPAC name of 1-(2,6-dichlorophenyl)-N-ethyl-2-pyridin-3-ylethanamine (CID 105034466) is 1-(2,6-dichlorophenyl)-N-ethyl-2-pyridin-3-ylethanamine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-N-ethyl-2-pyridin-3-ylethanamine?
The canonical SMILES for 1-(2,6-dichlorophenyl)-N-ethyl-2-pyridin-3-ylethanamine is CCNC(Cc1cccnc1)c1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-N-ethyl-2-pyridin-3-ylethanamine?
The InChIKey is VAPLRNVQVPAAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2/c1-2-19-14(9-11-5-4-8-18-10-11)15-12(16)6-3-7-13(15)17/h3-8,10,14,19H,2,9H2,1H3.
What are the key properties of 1-(2,6-dichlorophenyl)-N-ethyl-2-pyridin-3-ylethanamine?
1-(2,6-dichlorophenyl)-N-ethyl-2-pyridin-3-ylethanamine has a molecular weight of 295.21 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-N-ethyl-2-pyridin-3-ylethanamine is sourced from PubChem (CID 105034466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).