3-(4-bromo-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidine

C15H20BrNO — CID 117495082

IUPAC3-(4-bromo-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidine
SMILESCOc1c(C2CCNC2)cc2c(c1Br)CCCC2
InChIInChI=1S/C15H20BrNO/c1-18-15-13(11-6-7-17-9-11)8-10-4-2-3-5-12(10)14(15)16/h8,11,17H,2-7,9H2,1H3
InChIKeyAXTWMMPUYLTMMG-UHFFFAOYSA-N
MW310.24 g/mol
LogP3.41
Rot. Bonds2

About 3-(4-bromo-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidine

3-(4-bromo-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidine (PubChem CID 117495082) has the molecular formula C15H20BrNO and a molecular weight of 310.24 g/mol. Its IUPAC name is 3-(4-bromo-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidine.

Molecular Properties

Compound Name3-(4-bromo-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidine
PubChem CID117495082
Molecular FormulaC15H20BrNO
Molecular Weight310.24 g/mol
Exact Mass309.07
IUPAC Name3-(4-bromo-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidine
SMILESCOc1c(C2CCNC2)cc2c(c1Br)CCCC2
InChIInChI=1S/C15H20BrNO/c1-18-15-13(11-6-7-17-9-11)8-10-4-2-3-5-12(10)14(15)16/h8,11,17H,2-7,9H2,1H3
InChIKeyAXTWMMPUYLTMMG-UHFFFAOYSA-N
XLogP3.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)pyrrolidine
CID 117449131
3-(4-bromo-2-methoxy-3,5-dimethylphenyl)pyrrolidine
CID 117457157
3-(4-bromo-2-methoxy-3,5-dimethylphenyl)piperidine
CID 117480620
3-(4-bromo-2-fluoro-3-methoxy-5-methylphenyl)pyrrolidine
CID 117465146
4-(3-bromo-2,4-dimethoxy-5-methylphenyl)piperidine
CID 117499537
3-(5-bromo-3-chloro-2-methoxyphenyl)pyrrolidine
CID 117469664
3-(3-bromo-2-methoxy-4-methylphenyl)piperidine
CID 115004613
3-(3-bromo-2-methoxy-5-propan-2-ylphenyl)pyrrolidine
CID 117480582
4-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)piperidine
CID 117402861
3-(4-methoxy-3,5-dimethylphenyl)pyrrolidine;hydrochloride
CID 169498562
4-bromo-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol
CID 84712946
3-(2-bromo-5-methoxyphenyl)pyrrolidine
CID 83730911

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidine?
The IUPAC name of 3-(4-bromo-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidine (CID 117495082) is 3-(4-bromo-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidine.
What is the SMILES notation for 3-(4-bromo-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidine?
The canonical SMILES for 3-(4-bromo-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidine is COc1c(C2CCNC2)cc2c(c1Br)CCCC2.
What is the InChIKey of 3-(4-bromo-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidine?
The InChIKey is AXTWMMPUYLTMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-18-15-13(11-6-7-17-9-11)8-10-4-2-3-5-12(10)14(15)16/h8,11,17H,2-7,9H2,1H3.
What are the key properties of 3-(4-bromo-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidine?
3-(4-bromo-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidine has a molecular weight of 310.24 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidine is sourced from PubChem (CID 117495082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).