7-(1-methylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline

C14H20N2O — CID 115076497

IUPAC7-(1-methylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline
SMILESCN1CCC(Oc2ccc3c(c2)CNCC3)C1
InChIInChI=1S/C14H20N2O/c1-16-7-5-14(10-16)17-13-3-2-11-4-6-15-9-12(11)8-13/h2-3,8,14-15H,4-7,9-10H2,1H3
InChIKeyNXCGHRIGCJYRJT-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.42
Rot. Bonds2

About 7-(1-methylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline

7-(1-methylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 115076497) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 7-(1-methylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-(1-methylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID115076497
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name7-(1-methylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline
SMILESCN1CCC(Oc2ccc3c(c2)CNCC3)C1
InChIInChI=1S/C14H20N2O/c1-16-7-5-14(10-16)17-13-3-2-11-4-6-15-9-12(11)8-13/h2-3,8,14-15H,4-7,9-10H2,1H3
InChIKeyNXCGHRIGCJYRJT-UHFFFAOYSA-N
XLogP1.42
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-(1-methylpiperidin-4-yl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076511
7-(4-methylcyclohexyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076564
7-(1-methylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline
CID 115075407
7-[(1-methylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076629
7-(1-propan-2-ylpiperidin-4-yl)oxy-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 10266140
2,7-bis[[(3S)-1-methylpyrrolidin-3-yl]oxy]fluoren-9-one
CID 11406297
2-methyl-6-pyrrolidin-3-yloxy-3,4-dihydro-1H-isoquinoline
CID 84695976
7-[(1-ethylpyrrolidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076602
ethane;7-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 143868283
2-methoxy-4-[(3R)-1-methylpyrrolidin-3-yl]oxyaniline
CID 67208572
7-[(1-ethylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076616
7-[(1-propan-2-ylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076617

Frequently Asked Questions

What is the IUPAC name of 7-(1-methylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 7-(1-methylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline (CID 115076497) is 7-(1-methylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 7-(1-methylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 7-(1-methylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline is CN1CCC(Oc2ccc3c(c2)CNCC3)C1.
What is the InChIKey of 7-(1-methylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is NXCGHRIGCJYRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-16-7-5-14(10-16)17-13-3-2-11-4-6-15-9-12(11)8-13/h2-3,8,14-15H,4-7,9-10H2,1H3.
What are the key properties of 7-(1-methylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline?
7-(1-methylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 232.33 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-methylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 115076497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).