4-[2-(3,4-dimethylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline

C19H23N — CID 63866885

IUPAC4-[2-(3,4-dimethylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
SMILESCc1ccc(CCC2CCNc3ccccc32)cc1C
InChIInChI=1S/C19H23N/c1-14-7-8-16(13-15(14)2)9-10-17-11-12-20-19-6-4-3-5-18(17)19/h3-8,13,17,20H,9-12H2,1-2H3
InChIKeyREIBSKMCJPQMME-UHFFFAOYSA-N
MW265.40 g/mol
LogP4.84
Rot. Bonds3

About 4-[2-(3,4-dimethylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline

4-[2-(3,4-dimethylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 63866885) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-[2-(3,4-dimethylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name4-[2-(3,4-dimethylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
PubChem CID63866885
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC Name4-[2-(3,4-dimethylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
SMILESCc1ccc(CCC2CCNc3ccccc32)cc1C
InChIInChI=1S/C19H23N/c1-14-7-8-16(13-15(14)2)9-10-17-11-12-20-19-6-4-3-5-18(17)19/h3-8,13,17,20H,9-12H2,1-2H3
InChIKeyREIBSKMCJPQMME-UHFFFAOYSA-N
XLogP4.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4-dimethylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 4-[2-(3,4-dimethylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline (CID 63866885) is 4-[2-(3,4-dimethylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 4-[2-(3,4-dimethylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 4-[2-(3,4-dimethylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline is Cc1ccc(CCC2CCNc3ccccc32)cc1C.
What is the InChIKey of 4-[2-(3,4-dimethylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is REIBSKMCJPQMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N/c1-14-7-8-16(13-15(14)2)9-10-17-11-12-20-19-6-4-3-5-18(17)19/h3-8,13,17,20H,9-12H2,1-2H3.
What are the key properties of 4-[2-(3,4-dimethylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline?
4-[2-(3,4-dimethylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 265.40 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4-dimethylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 63866885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).