2-(2-methylphenyl)-5,6,7,8-tetrahydroquinoline

C16H17N — CID 22768993

IUPAC2-(2-methylphenyl)-5,6,7,8-tetrahydroquinoline
SMILESCc1ccccc1-c1ccc2c(n1)CCCC2
InChIInChI=1S/C16H17N/c1-12-6-2-4-8-14(12)16-11-10-13-7-3-5-9-15(13)17-16/h2,4,6,8,10-11H,3,5,7,9H2,1H3
InChIKeyMSPDYDRIPFTHOP-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.94
Rot. Bonds1

About 2-(2-methylphenyl)-5,6,7,8-tetrahydroquinoline

2-(2-methylphenyl)-5,6,7,8-tetrahydroquinoline (PubChem CID 22768993) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(2-methylphenyl)-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name2-(2-methylphenyl)-5,6,7,8-tetrahydroquinoline
PubChem CID22768993
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name2-(2-methylphenyl)-5,6,7,8-tetrahydroquinoline
SMILESCc1ccccc1-c1ccc2c(n1)CCCC2
InChIInChI=1S/C16H17N/c1-12-6-2-4-8-14(12)16-11-10-13-7-3-5-9-15(13)17-16/h2,4,6,8,10-11H,3,5,7,9H2,1H3
InChIKeyMSPDYDRIPFTHOP-UHFFFAOYSA-N
XLogP3.94
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-5,6,7,8-tetrahydroquinoline?
The IUPAC name of 2-(2-methylphenyl)-5,6,7,8-tetrahydroquinoline (CID 22768993) is 2-(2-methylphenyl)-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 2-(2-methylphenyl)-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 2-(2-methylphenyl)-5,6,7,8-tetrahydroquinoline is Cc1ccccc1-c1ccc2c(n1)CCCC2.
What is the InChIKey of 2-(2-methylphenyl)-5,6,7,8-tetrahydroquinoline?
The InChIKey is MSPDYDRIPFTHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N/c1-12-6-2-4-8-14(12)16-11-10-13-7-3-5-9-15(13)17-16/h2,4,6,8,10-11H,3,5,7,9H2,1H3.
What are the key properties of 2-(2-methylphenyl)-5,6,7,8-tetrahydroquinoline?
2-(2-methylphenyl)-5,6,7,8-tetrahydroquinoline has a molecular weight of 223.32 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 22768993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).