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

C17H21NO — CID 64689084

IUPAC3-ethyl-2-(6-methoxynaphthalen-2-yl)pyrrolidine
SMILESCCC1CCNC1c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C17H21NO/c1-3-12-8-9-18-17(12)15-5-4-14-11-16(19-2)7-6-13(14)10-15/h4-7,10-12,17-18H,3,8-9H2,1-2H3
InChIKeyAPDDUKXJSKUYQE-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.91
Rot. Bonds3

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

3-ethyl-2-(6-methoxynaphthalen-2-yl)pyrrolidine (PubChem CID 64689084) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-ethyl-2-(6-methoxynaphthalen-2-yl)pyrrolidine.

Molecular Properties

Compound Name3-ethyl-2-(6-methoxynaphthalen-2-yl)pyrrolidine
PubChem CID64689084
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name3-ethyl-2-(6-methoxynaphthalen-2-yl)pyrrolidine
SMILESCCC1CCNC1c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C17H21NO/c1-3-12-8-9-18-17(12)15-5-4-14-11-16(19-2)7-6-13(14)10-15/h4-7,10-12,17-18H,3,8-9H2,1-2H3
InChIKeyAPDDUKXJSKUYQE-UHFFFAOYSA-N
XLogP3.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(6-methoxynaphthalen-2-yl)azetidine;hydrochloride
CID 171196650
3-ethyl-2-(3,4,5-trimethoxyphenyl)pyrrolidine
CID 5112022
2-(3-ethoxyphenyl)-3-ethylpyrrolidine
CID 64689256
(2R)-2-(6-methoxynaphthalen-2-yl)piperidine
CID 171195323
3-ethyl-2-(3-fluorophenyl)pyrrolidine
CID 3903134
(2S)-2-(6-methoxynaphthalen-2-yl)pyrrolidine;hydrochloride
CID 171196228
3-(methoxymethyl)-2-(4-methoxyphenyl)piperidine
CID 105496567
(2S)-2-(6-methoxynaphthalen-2-yl)piperidine;hydrochloride
CID 171194817
(2S)-2-(4-methoxyphenyl)azetidine
CID 55278634
2-cyclopentyl-6-methoxynaphthalene
CID 67100251
3-fluoro-2-(4-methoxyphenyl)pyrrolidine;hydrochloride
CID 115038605
4-(4-methoxyphenyl)-2-(methylsulfonylmethyl)piperidine
CID 141152602

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(6-methoxynaphthalen-2-yl)pyrrolidine?
The IUPAC name of 3-ethyl-2-(6-methoxynaphthalen-2-yl)pyrrolidine (CID 64689084) is 3-ethyl-2-(6-methoxynaphthalen-2-yl)pyrrolidine.
What is the SMILES notation for 3-ethyl-2-(6-methoxynaphthalen-2-yl)pyrrolidine?
The canonical SMILES for 3-ethyl-2-(6-methoxynaphthalen-2-yl)pyrrolidine is CCC1CCNC1c1ccc2cc(OC)ccc2c1.
What is the InChIKey of 3-ethyl-2-(6-methoxynaphthalen-2-yl)pyrrolidine?
The InChIKey is APDDUKXJSKUYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-3-12-8-9-18-17(12)15-5-4-14-11-16(19-2)7-6-13(14)10-15/h4-7,10-12,17-18H,3,8-9H2,1-2H3.
What are the key properties of 3-ethyl-2-(6-methoxynaphthalen-2-yl)pyrrolidine?
3-ethyl-2-(6-methoxynaphthalen-2-yl)pyrrolidine has a molecular weight of 255.36 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(6-methoxynaphthalen-2-yl)pyrrolidine is sourced from PubChem (CID 64689084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).