3-[(2-methylphenyl)-naphthalen-1-yloxymethyl]pyrrolidine

C22H23NO — CID 66755321

IUPAC3-[(2-methylphenyl)-naphthalen-1-yloxymethyl]pyrrolidine
SMILESCc1ccccc1C(Oc1cccc2ccccc12)C1CCNC1
InChIInChI=1S/C22H23NO/c1-16-7-2-4-10-19(16)22(18-13-14-23-15-18)24-21-12-6-9-17-8-3-5-11-20(17)21/h2-12,18,22-23H,13-15H2,1H3
InChIKeyFKKZRWZUTBYIJX-UHFFFAOYSA-N
MW317.43 g/mol
LogP4.88
Rot. Bonds4

About 3-[(2-methylphenyl)-naphthalen-1-yloxymethyl]pyrrolidine

3-[(2-methylphenyl)-naphthalen-1-yloxymethyl]pyrrolidine (PubChem CID 66755321) has the molecular formula C22H23NO and a molecular weight of 317.43 g/mol. Its IUPAC name is 3-[(2-methylphenyl)-naphthalen-1-yloxymethyl]pyrrolidine.

Molecular Properties

Compound Name3-[(2-methylphenyl)-naphthalen-1-yloxymethyl]pyrrolidine
PubChem CID66755321
Molecular FormulaC22H23NO
Molecular Weight317.43 g/mol
Exact Mass317.18
IUPAC Name3-[(2-methylphenyl)-naphthalen-1-yloxymethyl]pyrrolidine
SMILESCc1ccccc1C(Oc1cccc2ccccc12)C1CCNC1
InChIInChI=1S/C22H23NO/c1-16-7-2-4-10-19(16)22(18-13-14-23-15-18)24-21-12-6-9-17-8-3-5-11-20(17)21/h2-12,18,22-23H,13-15H2,1H3
InChIKeyFKKZRWZUTBYIJX-UHFFFAOYSA-N
XLogP4.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(1-naphthalen-1-yloxypropyl)pyrrolidine
CID 66892345
(3S)-3-[(R)-(2-methylphenoxy)-phenylmethyl]pyrrolidine
CID 71562371
2-[(R)-(2-methylphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole
CID 66752684
3-(2-methylphenoxy)-2-pyrrolidin-3-ylpropan-1-ol
CID 117237779
[2-(1-pyrrolidin-3-ylpropoxy)phenyl]methanol
CID 22276061
2-[(2-methoxyphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole
CID 66752882
2-[(S)-(3-chloro-2-methylphenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole
CID 66752695
2-[(2-phenylphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole
CID 66752960
(3S)-3-[(2,4-difluorophenoxy)-phenylmethyl]pyrrolidine
CID 66924540
(3S)-3-[(1R)-1-(2-chlorophenoxy)butyl]pyrrolidine
CID 66892158
3-chloro-5-[(S)-(2-methoxyphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine
CID 46946421
2-fluoro-6-[(S)-phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine
CID 66752580

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylphenyl)-naphthalen-1-yloxymethyl]pyrrolidine?
The IUPAC name of 3-[(2-methylphenyl)-naphthalen-1-yloxymethyl]pyrrolidine (CID 66755321) is 3-[(2-methylphenyl)-naphthalen-1-yloxymethyl]pyrrolidine.
What is the SMILES notation for 3-[(2-methylphenyl)-naphthalen-1-yloxymethyl]pyrrolidine?
The canonical SMILES for 3-[(2-methylphenyl)-naphthalen-1-yloxymethyl]pyrrolidine is Cc1ccccc1C(Oc1cccc2ccccc12)C1CCNC1.
What is the InChIKey of 3-[(2-methylphenyl)-naphthalen-1-yloxymethyl]pyrrolidine?
The InChIKey is FKKZRWZUTBYIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO/c1-16-7-2-4-10-19(16)22(18-13-14-23-15-18)24-21-12-6-9-17-8-3-5-11-20(17)21/h2-12,18,22-23H,13-15H2,1H3.
What are the key properties of 3-[(2-methylphenyl)-naphthalen-1-yloxymethyl]pyrrolidine?
3-[(2-methylphenyl)-naphthalen-1-yloxymethyl]pyrrolidine has a molecular weight of 317.43 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylphenyl)-naphthalen-1-yloxymethyl]pyrrolidine is sourced from PubChem (CID 66755321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).