1-[2-(2,4-dichlorophenyl)ethyl]-3,6-dihydro-2H-pyridine

C13H15Cl2N — CID 57401211

IUPAC1-[2-(2,4-dichlorophenyl)ethyl]-3,6-dihydro-2H-pyridine
SMILESClc1ccc(CCN2CC=CCC2)c(Cl)c1
InChIInChI=1S/C13H15Cl2N/c14-12-5-4-11(13(15)10-12)6-9-16-7-2-1-3-8-16/h1-2,4-5,10H,3,6-9H2
InChIKeyQUOQRHUEAFIBQT-UHFFFAOYSA-N
MW256.18 g/mol
LogP3.80
Rot. Bonds3

About 1-[2-(2,4-dichlorophenyl)ethyl]-3,6-dihydro-2H-pyridine

1-[2-(2,4-dichlorophenyl)ethyl]-3,6-dihydro-2H-pyridine (PubChem CID 57401211) has the molecular formula C13H15Cl2N and a molecular weight of 256.18 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenyl)ethyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenyl)ethyl]-3,6-dihydro-2H-pyridine
PubChem CID57401211
Molecular FormulaC13H15Cl2N
Molecular Weight256.18 g/mol
Exact Mass255.06
IUPAC Name1-[2-(2,4-dichlorophenyl)ethyl]-3,6-dihydro-2H-pyridine
SMILESClc1ccc(CCN2CC=CCC2)c(Cl)c1
InChIInChI=1S/C13H15Cl2N/c14-12-5-4-11(13(15)10-12)6-9-16-7-2-1-3-8-16/h1-2,4-5,10H,3,6-9H2
InChIKeyQUOQRHUEAFIBQT-UHFFFAOYSA-N
XLogP3.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.18
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,4-Dichlorophenethylamine
CID 142938
Clofilium
CID 2798
4-(4-Chlorophenyl)-1,2,3,6-tetrahydropyridine
CID 185717
2,6-Dichlorophenethylamine
CID 2734101
4-(4-Chlorophenyl)-1,2,3,6-tetrahydropyridinium chloride
CID 2723612
Benzenemethanamine, 2,4-dichloro-N-methyl-
CID 485424
4-(2,4-Dichlorobenzyl)thiomorpholine
CID 1377068
2-(2-Chlorophenyl)-N,N-dimethylethanamine
CID 176468
LY 97119
CID 194450
4-(4-Chloro-phenyl)-1-(4-phenyl-butyl)-1,2,3,6-tetrahydro-pyridine
CID 18790204
Benzylamine, N,N-bis(2-chloroethyl)-p-chloro-
CID 19183
1-Methyl-4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridine
CID 78745

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenyl)ethyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[2-(2,4-dichlorophenyl)ethyl]-3,6-dihydro-2H-pyridine (CID 57401211) is 1-[2-(2,4-dichlorophenyl)ethyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[2-(2,4-dichlorophenyl)ethyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[2-(2,4-dichlorophenyl)ethyl]-3,6-dihydro-2H-pyridine is Clc1ccc(CCN2CC=CCC2)c(Cl)c1.
What is the InChIKey of 1-[2-(2,4-dichlorophenyl)ethyl]-3,6-dihydro-2H-pyridine?
The InChIKey is QUOQRHUEAFIBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N/c14-12-5-4-11(13(15)10-12)6-9-16-7-2-1-3-8-16/h1-2,4-5,10H,3,6-9H2.
What are the key properties of 1-[2-(2,4-dichlorophenyl)ethyl]-3,6-dihydro-2H-pyridine?
1-[2-(2,4-dichlorophenyl)ethyl]-3,6-dihydro-2H-pyridine has a molecular weight of 256.18 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenyl)ethyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 57401211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).