2-(3-methoxynaphthalen-2-yl)pyrrolidine

C15H17NO — CID 4540361

IUPAC2-(3-methoxynaphthalen-2-yl)pyrrolidine
SMILESCOc1cc2ccccc2cc1C1CCCN1
InChIInChI=1S/C15H17NO/c1-17-15-10-12-6-3-2-5-11(12)9-13(15)14-7-4-8-16-14/h2-3,5-6,9-10,14,16H,4,7-8H2,1H3
InChIKeyRGZYWUYHKRWVPB-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.27
Rot. Bonds2

About 2-(3-methoxynaphthalen-2-yl)pyrrolidine

2-(3-methoxynaphthalen-2-yl)pyrrolidine (PubChem CID 4540361) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-(3-methoxynaphthalen-2-yl)pyrrolidine.

Molecular Properties

Compound Name2-(3-methoxynaphthalen-2-yl)pyrrolidine
PubChem CID4540361
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name2-(3-methoxynaphthalen-2-yl)pyrrolidine
SMILESCOc1cc2ccccc2cc1C1CCCN1
InChIInChI=1S/C15H17NO/c1-17-15-10-12-6-3-2-5-11(12)9-13(15)14-7-4-8-16-14/h2-3,5-6,9-10,14,16H,4,7-8H2,1H3
InChIKeyRGZYWUYHKRWVPB-UHFFFAOYSA-N
XLogP3.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2-methoxyphenyl)pyrrolidine
CID 7047810
2-methoxy-3-[(2R)-pyrrolidin-2-yl]quinoline
CID 131869108
4-methoxy-3-[(2R)-pyrrolidin-2-yl]aniline
CID 66518354
2-(2,4,5-trimethoxyphenyl)azepane
CID 62543409
(2S)-2-(2,4-dimethoxyphenyl)piperidine
CID 7022848
4-methoxy-3-pyrrolidin-2-ylphenol
CID 55297215
(2S)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine
CID 55277653
2,5-dimethoxy-N,N-dimethyl-4-pyrrolidin-2-ylaniline
CID 117379645
(2R)-2-(2,4-dimethoxyphenyl)piperidine;hydrochloride
CID 171195361
(2R)-2-(4-methoxynaphthalen-1-yl)pyrrolidine;hydrochloride
CID 171196102
2-[4-(fluoromethyl)-2,5-dimethoxyphenyl]pyrrolidine
CID 84701260
(2R)-2-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrrolidine
CID 171196183

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxynaphthalen-2-yl)pyrrolidine?
The IUPAC name of 2-(3-methoxynaphthalen-2-yl)pyrrolidine (CID 4540361) is 2-(3-methoxynaphthalen-2-yl)pyrrolidine.
What is the SMILES notation for 2-(3-methoxynaphthalen-2-yl)pyrrolidine?
The canonical SMILES for 2-(3-methoxynaphthalen-2-yl)pyrrolidine is COc1cc2ccccc2cc1C1CCCN1.
What is the InChIKey of 2-(3-methoxynaphthalen-2-yl)pyrrolidine?
The InChIKey is RGZYWUYHKRWVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-17-15-10-12-6-3-2-5-11(12)9-13(15)14-7-4-8-16-14/h2-3,5-6,9-10,14,16H,4,7-8H2,1H3.
What are the key properties of 2-(3-methoxynaphthalen-2-yl)pyrrolidine?
2-(3-methoxynaphthalen-2-yl)pyrrolidine has a molecular weight of 227.31 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxynaphthalen-2-yl)pyrrolidine is sourced from PubChem (CID 4540361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).