2-[(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]pyrrolidine

C16H23NO — CID 117366133

IUPAC2-[(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]pyrrolidine
SMILESCOc1c(CC2CCCN2)ccc2c1CCCC2
InChIInChI=1S/C16H23NO/c1-18-16-13(11-14-6-4-10-17-14)9-8-12-5-2-3-7-15(12)16/h8-9,14,17H,2-7,10-11H2,1H3
InChIKeyCZCBLASOXSRHKV-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.87
Rot. Bonds3

About 2-[(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]pyrrolidine

2-[(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]pyrrolidine (PubChem CID 117366133) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-[(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-[(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]pyrrolidine
PubChem CID117366133
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-[(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]pyrrolidine
SMILESCOc1c(CC2CCCN2)ccc2c1CCCC2
InChIInChI=1S/C16H23NO/c1-18-16-13(11-14-6-4-10-17-14)9-8-12-5-2-3-7-15(12)16/h8-9,14,17H,2-7,10-11H2,1H3
InChIKeyCZCBLASOXSRHKV-UHFFFAOYSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperidine
CID 117371669
2-[(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]pyrrolidine
CID 117495196
6-chloro-2-methoxy-3-(pyrrolidin-2-ylmethyl)phenol
CID 117356192
2-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]pyrrolidine
CID 117422294
2-[(2,4-difluoro-3-methoxyphenyl)methyl]piperidine
CID 117355168
2-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]piperidine
CID 117451909
2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperidine
CID 117360963
2-[(3-chloro-2,4-dimethoxy-5-methylphenyl)methyl]pyrrolidine
CID 117427831
2-[[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]methyl]piperidine
CID 117422077
2-[[3-(1,1-difluoroethyl)-2-methoxyphenyl]methyl]pyrrolidine
CID 117391311
2-[(2-cyclopentyloxy-3,4-dimethylphenyl)methyl]pyrrolidine
CID 117436699
2-methoxy-6-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)phenol
CID 117439926

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]pyrrolidine?
The IUPAC name of 2-[(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]pyrrolidine (CID 117366133) is 2-[(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]pyrrolidine.
What is the SMILES notation for 2-[(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]pyrrolidine?
The canonical SMILES for 2-[(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]pyrrolidine is COc1c(CC2CCCN2)ccc2c1CCCC2.
What is the InChIKey of 2-[(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]pyrrolidine?
The InChIKey is CZCBLASOXSRHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-18-16-13(11-14-6-4-10-17-14)9-8-12-5-2-3-7-15(12)16/h8-9,14,17H,2-7,10-11H2,1H3.
What are the key properties of 2-[(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]pyrrolidine?
2-[(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]pyrrolidine has a molecular weight of 245.37 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]pyrrolidine is sourced from PubChem (CID 117366133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).