4-(2-methylpyrrolidin-1-yl)-1,2,3,4-tetrahydroisoquinoline

C14H20N2 — CID 63938389

IUPAC4-(2-methylpyrrolidin-1-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCC1CCCN1C1CNCc2ccccc21
InChIInChI=1S/C14H20N2/c1-11-5-4-8-16(11)14-10-15-9-12-6-2-3-7-13(12)14/h2-3,6-7,11,14-15H,4-5,8-10H2,1H3
InChIKeyUJIKZCARLBLPCA-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.32
Rot. Bonds1

About 4-(2-methylpyrrolidin-1-yl)-1,2,3,4-tetrahydroisoquinoline

4-(2-methylpyrrolidin-1-yl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 63938389) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 4-(2-methylpyrrolidin-1-yl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name4-(2-methylpyrrolidin-1-yl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID63938389
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name4-(2-methylpyrrolidin-1-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCC1CCCN1C1CNCc2ccccc21
InChIInChI=1S/C14H20N2/c1-11-5-4-8-16(11)14-10-15-9-12-6-2-3-7-13(12)14/h2-3,6-7,11,14-15H,4-5,8-10H2,1H3
InChIKeyUJIKZCARLBLPCA-UHFFFAOYSA-N
XLogP2.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpyrrolidin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 4-(2-methylpyrrolidin-1-yl)-1,2,3,4-tetrahydroisoquinoline (CID 63938389) is 4-(2-methylpyrrolidin-1-yl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 4-(2-methylpyrrolidin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 4-(2-methylpyrrolidin-1-yl)-1,2,3,4-tetrahydroisoquinoline is CC1CCCN1C1CNCc2ccccc21.
What is the InChIKey of 4-(2-methylpyrrolidin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is UJIKZCARLBLPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-11-5-4-8-16(11)14-10-15-9-12-6-2-3-7-13(12)14/h2-3,6-7,11,14-15H,4-5,8-10H2,1H3.
What are the key properties of 4-(2-methylpyrrolidin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
4-(2-methylpyrrolidin-1-yl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 216.33 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpyrrolidin-1-yl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 63938389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).