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

C18H21NO — CID 106779338

IUPAC3-[2-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
SMILESCOc1ccc(CCC2CNc3ccccc3C2)cc1
InChIInChI=1S/C18H21NO/c1-20-17-10-8-14(9-11-17)6-7-15-12-16-4-2-3-5-18(16)19-13-15/h2-5,8-11,15,19H,6-7,12-13H2,1H3
InChIKeyKVOZUSOWLLITSM-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.91
Rot. Bonds4

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

3-[2-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 106779338) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name3-[2-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
PubChem CID106779338
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name3-[2-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
SMILESCOc1ccc(CCC2CNc3ccccc3C2)cc1
InChIInChI=1S/C18H21NO/c1-20-17-10-8-14(9-11-17)6-7-15-12-16-4-2-3-5-18(16)19-13-15/h2-5,8-11,15,19H,6-7,12-13H2,1H3
InChIKeyKVOZUSOWLLITSM-UHFFFAOYSA-N
XLogP3.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 3-[2-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroquinoline (CID 106779338) is 3-[2-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 3-[2-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 3-[2-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroquinoline is COc1ccc(CCC2CNc3ccccc3C2)cc1.
What is the InChIKey of 3-[2-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is KVOZUSOWLLITSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-20-17-10-8-14(9-11-17)6-7-15-12-16-4-2-3-5-18(16)19-13-15/h2-5,8-11,15,19H,6-7,12-13H2,1H3.
What are the key properties of 3-[2-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroquinoline?
3-[2-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 267.37 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 106779338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).