(2S)-2-methyl-1-[(2R)-6-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine

C16H23N — CID 129395466

IUPAC(2S)-2-methyl-1-[(2R)-6-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine
SMILESCc1ccc2c(c1)CC[C@@H](N1CCC[C@@H]1C)C2
InChIInChI=1S/C16H23N/c1-12-5-6-15-11-16(8-7-14(15)10-12)17-9-3-4-13(17)2/h5-6,10,13,16H,3-4,7-9,11H2,1-2H3/t13-,16+/m0/s1
InChIKeyJKQYBACECGCDLM-XJKSGUPXSA-N
MW229.37 g/mol
LogP3.34
Rot. Bonds1

About (2S)-2-methyl-1-[(2R)-6-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine

(2S)-2-methyl-1-[(2R)-6-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine (PubChem CID 129395466) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is (2S)-2-methyl-1-[(2R)-6-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine.

Molecular Properties

Compound Name(2S)-2-methyl-1-[(2R)-6-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine
PubChem CID129395466
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name(2S)-2-methyl-1-[(2R)-6-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine
SMILESCc1ccc2c(c1)CC[C@@H](N1CCC[C@@H]1C)C2
InChIInChI=1S/C16H23N/c1-12-5-6-15-11-16(8-7-14(15)10-12)17-9-3-4-13(17)2/h5-6,10,13,16H,3-4,7-9,11H2,1-2H3/t13-,16+/m0/s1
InChIKeyJKQYBACECGCDLM-XJKSGUPXSA-N
XLogP3.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine
CID 68987766
(2R)-1-[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine
CID 68930732
1-[6-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine
CID 68929304
1-(6-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)aziridine
CID 138553639
1-[6-(2,6-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine
CID 68926802
2-methyl-1-[6-(4-phenoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine
CID 68933562
ethyl 4-[6-(2-methylpyrrolidin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]benzoate
CID 68932127
ethyl 3-[6-(2-methylpyrrolidin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]benzoate
CID 68924541
2-methyl-1-(6-thianthren-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine
CID 68929215
2-methyl-1-[6-(2-phenylmethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine
CID 68926816
1-[6-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine
CID 68929138
1-[6-(2-fluoro-4-phenylmethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine
CID 68929187

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-1-[(2R)-6-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine?
The IUPAC name of (2S)-2-methyl-1-[(2R)-6-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine (CID 129395466) is (2S)-2-methyl-1-[(2R)-6-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine.
What is the SMILES notation for (2S)-2-methyl-1-[(2R)-6-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine?
The canonical SMILES for (2S)-2-methyl-1-[(2R)-6-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine is Cc1ccc2c(c1)CC[C@@H](N1CCC[C@@H]1C)C2.
What is the InChIKey of (2S)-2-methyl-1-[(2R)-6-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine?
The InChIKey is JKQYBACECGCDLM-XJKSGUPXSA-N. The full InChI is InChI=1S/C16H23N/c1-12-5-6-15-11-16(8-7-14(15)10-12)17-9-3-4-13(17)2/h5-6,10,13,16H,3-4,7-9,11H2,1-2H3/t13-,16+/m0/s1.
What are the key properties of (2S)-2-methyl-1-[(2R)-6-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine?
(2S)-2-methyl-1-[(2R)-6-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine has a molecular weight of 229.37 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1-[(2R)-6-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine is sourced from PubChem (CID 129395466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).