7-[4-[2-(2-methylpyrrol-1-yl)ethyl]phenyl]-1,2,3,4-tetrahydroisoquinoline

C22H24N2 — CID 68796358

IUPAC7-[4-[2-(2-methylpyrrol-1-yl)ethyl]phenyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCc1cccn1CCc1ccc(-c2ccc3c(c2)CNCC3)cc1
InChIInChI=1S/C22H24N2/c1-17-3-2-13-24(17)14-11-18-4-6-19(7-5-18)21-9-8-20-10-12-23-16-22(20)15-21/h2-9,13,15,23H,10-12,14,16H2,1H3
InChIKeyCYMMWXFEDXJFGR-UHFFFAOYSA-N
MW316.45 g/mol
LogP4.35
Rot. Bonds4

About 7-[4-[2-(2-methylpyrrol-1-yl)ethyl]phenyl]-1,2,3,4-tetrahydroisoquinoline

7-[4-[2-(2-methylpyrrol-1-yl)ethyl]phenyl]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 68796358) has the molecular formula C22H24N2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 7-[4-[2-(2-methylpyrrol-1-yl)ethyl]phenyl]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-[4-[2-(2-methylpyrrol-1-yl)ethyl]phenyl]-1,2,3,4-tetrahydroisoquinoline
PubChem CID68796358
Molecular FormulaC22H24N2
Molecular Weight316.45 g/mol
Exact Mass316.19
IUPAC Name7-[4-[2-(2-methylpyrrol-1-yl)ethyl]phenyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCc1cccn1CCc1ccc(-c2ccc3c(c2)CNCC3)cc1
InChIInChI=1S/C22H24N2/c1-17-3-2-13-24(17)14-11-18-4-6-19(7-5-18)21-9-8-20-10-12-23-16-22(20)15-21/h2-9,13,15,23H,10-12,14,16H2,1H3
InChIKeyCYMMWXFEDXJFGR-UHFFFAOYSA-N
XLogP4.35
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-[4-[2-(2-methylpyrrol-1-yl)ethyl]phenyl]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 7-[4-[2-(2-methylpyrrol-1-yl)ethyl]phenyl]-1,2,3,4-tetrahydroisoquinoline (CID 68796358) is 7-[4-[2-(2-methylpyrrol-1-yl)ethyl]phenyl]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 7-[4-[2-(2-methylpyrrol-1-yl)ethyl]phenyl]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 7-[4-[2-(2-methylpyrrol-1-yl)ethyl]phenyl]-1,2,3,4-tetrahydroisoquinoline is Cc1cccn1CCc1ccc(-c2ccc3c(c2)CNCC3)cc1.
What is the InChIKey of 7-[4-[2-(2-methylpyrrol-1-yl)ethyl]phenyl]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is CYMMWXFEDXJFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2/c1-17-3-2-13-24(17)14-11-18-4-6-19(7-5-18)21-9-8-20-10-12-23-16-22(20)15-21/h2-9,13,15,23H,10-12,14,16H2,1H3.
What are the key properties of 7-[4-[2-(2-methylpyrrol-1-yl)ethyl]phenyl]-1,2,3,4-tetrahydroisoquinoline?
7-[4-[2-(2-methylpyrrol-1-yl)ethyl]phenyl]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 316.45 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[2-(2-methylpyrrol-1-yl)ethyl]phenyl]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 68796358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).