3-[2-(6-methoxynaphthalen-2-yl)ethyl]pyrrolidine

C17H21NO — CID 116925514

IUPAC3-[2-(6-methoxynaphthalen-2-yl)ethyl]pyrrolidine
SMILESCOc1ccc2cc(CCC3CCNC3)ccc2c1
InChIInChI=1S/C17H21NO/c1-19-17-7-6-15-10-13(4-5-16(15)11-17)2-3-14-8-9-18-12-14/h4-7,10-11,14,18H,2-3,8-9,12H2,1H3
InChIKeyPGSLQYYWXKNLDW-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.39
Rot. Bonds4

About 3-[2-(6-methoxynaphthalen-2-yl)ethyl]pyrrolidine

3-[2-(6-methoxynaphthalen-2-yl)ethyl]pyrrolidine (PubChem CID 116925514) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-[2-(6-methoxynaphthalen-2-yl)ethyl]pyrrolidine.

Molecular Properties

Compound Name3-[2-(6-methoxynaphthalen-2-yl)ethyl]pyrrolidine
PubChem CID116925514
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name3-[2-(6-methoxynaphthalen-2-yl)ethyl]pyrrolidine
SMILESCOc1ccc2cc(CCC3CCNC3)ccc2c1
InChIInChI=1S/C17H21NO/c1-19-17-7-6-15-10-13(4-5-16(15)11-17)2-3-14-8-9-18-12-14/h4-7,10-11,14,18H,2-3,8-9,12H2,1H3
InChIKeyPGSLQYYWXKNLDW-UHFFFAOYSA-N
XLogP3.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-6-[2-(4-propylcyclohexyl)ethyl]naphthalene
CID 139877588
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CID 116605893
(3S)-3-[2-(3-methoxyphenoxy)ethyl]pyrrolidine
CID 93080822
4-(2-naphthalen-2-ylethyl)piperidine
CID 43146715
6-methoxy-1-(2-pyrrolidin-3-ylethoxy)isoquinoline
CID 106542215
(3R)-3-[(4-methoxyphenyl)methoxymethyl]pyrrolidine
CID 86321821
3-[2-(3-bromo-4-fluorophenyl)ethyl]pyrrolidine
CID 84713269
3-[(7-methoxynaphthalen-1-yl)methyl]pyrrolidine
CID 19096229
2-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-6-methoxynaphthalene
CID 139861327
5-[2-(4-methoxyphenyl)ethyl]-2-methylpiperidine
CID 106779333
2-[(6-methoxynaphthalen-2-yl)methyl]piperazine
CID 116825348
1-[(6-methoxynaphthalen-2-yl)methyl]-4-[(3S)-pyrrolidin-3-yl]piperazine
CID 125118230

Frequently Asked Questions

What is the IUPAC name of 3-[2-(6-methoxynaphthalen-2-yl)ethyl]pyrrolidine?
The IUPAC name of 3-[2-(6-methoxynaphthalen-2-yl)ethyl]pyrrolidine (CID 116925514) is 3-[2-(6-methoxynaphthalen-2-yl)ethyl]pyrrolidine.
What is the SMILES notation for 3-[2-(6-methoxynaphthalen-2-yl)ethyl]pyrrolidine?
The canonical SMILES for 3-[2-(6-methoxynaphthalen-2-yl)ethyl]pyrrolidine is COc1ccc2cc(CCC3CCNC3)ccc2c1.
What is the InChIKey of 3-[2-(6-methoxynaphthalen-2-yl)ethyl]pyrrolidine?
The InChIKey is PGSLQYYWXKNLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-19-17-7-6-15-10-13(4-5-16(15)11-17)2-3-14-8-9-18-12-14/h4-7,10-11,14,18H,2-3,8-9,12H2,1H3.
What are the key properties of 3-[2-(6-methoxynaphthalen-2-yl)ethyl]pyrrolidine?
3-[2-(6-methoxynaphthalen-2-yl)ethyl]pyrrolidine has a molecular weight of 255.36 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(6-methoxynaphthalen-2-yl)ethyl]pyrrolidine is sourced from PubChem (CID 116925514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).