(2R,5R)-1-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-2,5-dimethylpyrrolidine

C16H23NO — CID 69028967

IUPAC(2R,5R)-1-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-2,5-dimethylpyrrolidine
SMILESCOc1ccc2c(c1)CC(N1[C@H](C)CC[C@H]1C)C2
InChIInChI=1S/C16H23NO/c1-11-4-5-12(2)17(11)15-8-13-6-7-16(18-3)10-14(13)9-15/h6-7,10-12,15H,4-5,8-9H2,1-3H3/t11-,12-,15?/m1/s1
InChIKeySIKLUBQDZRQJRB-IQQIRFCMSA-N
MW245.37 g/mol
LogP3.04
Rot. Bonds2

About (2R,5R)-1-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-2,5-dimethylpyrrolidine

(2R,5R)-1-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-2,5-dimethylpyrrolidine (PubChem CID 69028967) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is (2R,5R)-1-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-2,5-dimethylpyrrolidine.

Molecular Properties

Compound Name(2R,5R)-1-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-2,5-dimethylpyrrolidine
PubChem CID69028967
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name(2R,5R)-1-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-2,5-dimethylpyrrolidine
SMILESCOc1ccc2c(c1)CC(N1[C@H](C)CC[C@H]1C)C2
InChIInChI=1S/C16H23NO/c1-11-4-5-12(2)17(11)15-8-13-6-7-16(18-3)10-14(13)9-15/h6-7,10-12,15H,4-5,8-9H2,1-3H3/t11-,12-,15?/m1/s1
InChIKeySIKLUBQDZRQJRB-IQQIRFCMSA-N
XLogP3.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene;hydrochloride
CID 19889857
(2R)-5-methoxy-N-methyl-2,3-dihydro-1H-inden-2-amine
CID 86334379
1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-3-methylpiperazine
CID 115510854
6-methoxy-2,3,3a,4-tetrahydropyrrolo[1,2-a]indol-1-one
CID 86072442
6-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline
CID 12715494
2-(2,2-dimethylpropyl)-5-methoxy-2,3-dihydro-1H-indene
CID 134338473
(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 15718592
[(2R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]hydrazine
CID 124537599
7-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10082172
(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylazanium chloride
CID 11299819
(2S)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 10632089
5-methoxy-11-azatricyclo[8.2.2.03,8]tetradeca-3(8),4,6-triene
CID 20537552

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-1-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-2,5-dimethylpyrrolidine?
The IUPAC name of (2R,5R)-1-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-2,5-dimethylpyrrolidine (CID 69028967) is (2R,5R)-1-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-2,5-dimethylpyrrolidine.
What is the SMILES notation for (2R,5R)-1-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-2,5-dimethylpyrrolidine?
The canonical SMILES for (2R,5R)-1-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-2,5-dimethylpyrrolidine is COc1ccc2c(c1)CC(N1[C@H](C)CC[C@H]1C)C2.
What is the InChIKey of (2R,5R)-1-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-2,5-dimethylpyrrolidine?
The InChIKey is SIKLUBQDZRQJRB-IQQIRFCMSA-N. The full InChI is InChI=1S/C16H23NO/c1-11-4-5-12(2)17(11)15-8-13-6-7-16(18-3)10-14(13)9-15/h6-7,10-12,15H,4-5,8-9H2,1-3H3/t11-,12-,15?/m1/s1.
What are the key properties of (2R,5R)-1-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-2,5-dimethylpyrrolidine?
(2R,5R)-1-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-2,5-dimethylpyrrolidine has a molecular weight of 245.37 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-1-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-2,5-dimethylpyrrolidine is sourced from PubChem (CID 69028967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).