6-(3-chloropropyl)-3-methyl-1,2,3,4-tetrahydroquinoline

C13H18ClN — CID 141087236

IUPAC6-(3-chloropropyl)-3-methyl-1,2,3,4-tetrahydroquinoline
SMILESCC1CNc2ccc(CCCCl)cc2C1
InChIInChI=1S/C13H18ClN/c1-10-7-12-8-11(3-2-6-14)4-5-13(12)15-9-10/h4-5,8,10,15H,2-3,6-7,9H2,1H3
InChIKeySYVNHWIUAZGSRX-UHFFFAOYSA-N
MW223.75 g/mol
LogP3.46
Rot. Bonds3

About 6-(3-chloropropyl)-3-methyl-1,2,3,4-tetrahydroquinoline

6-(3-chloropropyl)-3-methyl-1,2,3,4-tetrahydroquinoline (PubChem CID 141087236) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is 6-(3-chloropropyl)-3-methyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-(3-chloropropyl)-3-methyl-1,2,3,4-tetrahydroquinoline
PubChem CID141087236
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name6-(3-chloropropyl)-3-methyl-1,2,3,4-tetrahydroquinoline
SMILESCC1CNc2ccc(CCCCl)cc2C1
InChIInChI=1S/C13H18ClN/c1-10-7-12-8-11(3-2-6-14)4-5-13(12)15-9-10/h4-5,8,10,15H,2-3,6-7,9H2,1H3
InChIKeySYVNHWIUAZGSRX-UHFFFAOYSA-N
XLogP3.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chloropropyl)-3-methyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-(3-chloropropyl)-3-methyl-1,2,3,4-tetrahydroquinoline (CID 141087236) is 6-(3-chloropropyl)-3-methyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-(3-chloropropyl)-3-methyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-(3-chloropropyl)-3-methyl-1,2,3,4-tetrahydroquinoline is CC1CNc2ccc(CCCCl)cc2C1.
What is the InChIKey of 6-(3-chloropropyl)-3-methyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is SYVNHWIUAZGSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN/c1-10-7-12-8-11(3-2-6-14)4-5-13(12)15-9-10/h4-5,8,10,15H,2-3,6-7,9H2,1H3.
What are the key properties of 6-(3-chloropropyl)-3-methyl-1,2,3,4-tetrahydroquinoline?
6-(3-chloropropyl)-3-methyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 223.75 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloropropyl)-3-methyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 141087236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).