1-(2-chloro-4-methylphenyl)-4-ethoxy-3,6-dihydro-2H-pyridine

C14H18ClNO — CID 135082527

IUPAC1-(2-chloro-4-methylphenyl)-4-ethoxy-3,6-dihydro-2H-pyridine
SMILESCCOC1=CCN(c2ccc(C)cc2Cl)CC1
InChIInChI=1S/C14H18ClNO/c1-3-17-12-6-8-16(9-7-12)14-5-4-11(2)10-13(14)15/h4-6,10H,3,7-9H2,1-2H3
InChIKeyLXWXNFYMUGCFFY-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.78
Rot. Bonds3

About 1-(2-chloro-4-methylphenyl)-4-ethoxy-3,6-dihydro-2H-pyridine

1-(2-chloro-4-methylphenyl)-4-ethoxy-3,6-dihydro-2H-pyridine (PubChem CID 135082527) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-4-ethoxy-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-4-ethoxy-3,6-dihydro-2H-pyridine
PubChem CID135082527
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name1-(2-chloro-4-methylphenyl)-4-ethoxy-3,6-dihydro-2H-pyridine
SMILESCCOC1=CCN(c2ccc(C)cc2Cl)CC1
InChIInChI=1S/C14H18ClNO/c1-3-17-12-6-8-16(9-7-12)14-5-4-11(2)10-13(14)15/h4-6,10H,3,7-9H2,1-2H3
InChIKeyLXWXNFYMUGCFFY-UHFFFAOYSA-N
XLogP3.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-4-ethoxy-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-4-ethoxy-3,6-dihydro-2H-pyridine (CID 135082527) is 1-(2-chloro-4-methylphenyl)-4-ethoxy-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-4-ethoxy-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-4-ethoxy-3,6-dihydro-2H-pyridine is CCOC1=CCN(c2ccc(C)cc2Cl)CC1.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-4-ethoxy-3,6-dihydro-2H-pyridine?
The InChIKey is LXWXNFYMUGCFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c1-3-17-12-6-8-16(9-7-12)14-5-4-11(2)10-13(14)15/h4-6,10H,3,7-9H2,1-2H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-4-ethoxy-3,6-dihydro-2H-pyridine?
1-(2-chloro-4-methylphenyl)-4-ethoxy-3,6-dihydro-2H-pyridine has a molecular weight of 251.76 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-4-ethoxy-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 135082527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).