2-methyl-6-pyrrolidin-3-yloxy-3,4-dihydro-1H-isoquinoline

C14H20N2O — CID 84695976

IUPAC2-methyl-6-pyrrolidin-3-yloxy-3,4-dihydro-1H-isoquinoline
SMILESCN1CCc2cc(OC3CCNC3)ccc2C1
InChIInChI=1S/C14H20N2O/c1-16-7-5-11-8-13(3-2-12(11)10-16)17-14-4-6-15-9-14/h2-3,8,14-15H,4-7,9-10H2,1H3
InChIKeyCCOOBGRMDWHHBM-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.42
Rot. Bonds2

About 2-methyl-6-pyrrolidin-3-yloxy-3,4-dihydro-1H-isoquinoline

2-methyl-6-pyrrolidin-3-yloxy-3,4-dihydro-1H-isoquinoline (PubChem CID 84695976) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-methyl-6-pyrrolidin-3-yloxy-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-methyl-6-pyrrolidin-3-yloxy-3,4-dihydro-1H-isoquinoline
PubChem CID84695976
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-methyl-6-pyrrolidin-3-yloxy-3,4-dihydro-1H-isoquinoline
SMILESCN1CCc2cc(OC3CCNC3)ccc2C1
InChIInChI=1S/C14H20N2O/c1-16-7-5-11-8-13(3-2-12(11)10-16)17-14-4-6-15-9-14/h2-3,8,14-15H,4-7,9-10H2,1H3
InChIKeyCCOOBGRMDWHHBM-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

3-cyclobutyl-7-[(3S)-pyrrolidin-3-yl]oxy-1,2,4,5-tetrahydro-3-benzazepine
CID 68503277
5-(azetidin-3-yloxy)-2-methyl-1,3-dihydroisoindole
CID 176913255
7-(1-methylpiperidin-4-yl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076511
7-(1-methylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076497
1-methyl-5-pyrrolidin-3-yloxy-3H-indol-2-one
CID 117209664
6-pyrrolidin-3-yloxy-1,2,3,4-tetrahydroquinoline
CID 84683949
3-(2,3-dihydro-1-benzofuran-6-yloxy)pyrrolidine
CID 84673192
2-methyl-4-pyrrolidin-3-yloxy-1,3-dihydroisoindole
CID 84683934
7-(1-propan-2-ylpiperidin-4-yl)oxy-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 10266140
6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 3029133
2-methyl-6-phenoxy-3,4-dihydro-1H-isoquinoline
CID 166626286
3-(4-methylphenoxy)pyrrolidine
CID 18337173

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-pyrrolidin-3-yloxy-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-methyl-6-pyrrolidin-3-yloxy-3,4-dihydro-1H-isoquinoline (CID 84695976) is 2-methyl-6-pyrrolidin-3-yloxy-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-methyl-6-pyrrolidin-3-yloxy-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-methyl-6-pyrrolidin-3-yloxy-3,4-dihydro-1H-isoquinoline is CN1CCc2cc(OC3CCNC3)ccc2C1.
What is the InChIKey of 2-methyl-6-pyrrolidin-3-yloxy-3,4-dihydro-1H-isoquinoline?
The InChIKey is CCOOBGRMDWHHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-16-7-5-11-8-13(3-2-12(11)10-16)17-14-4-6-15-9-14/h2-3,8,14-15H,4-7,9-10H2,1H3.
What are the key properties of 2-methyl-6-pyrrolidin-3-yloxy-3,4-dihydro-1H-isoquinoline?
2-methyl-6-pyrrolidin-3-yloxy-3,4-dihydro-1H-isoquinoline 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 2-methyl-6-pyrrolidin-3-yloxy-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 84695976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).