1-benzyl-3-(2-naphthalen-2-ylethyl)pyrrolidine

C23H25N — CID 71090508

IUPAC1-benzyl-3-(2-naphthalen-2-ylethyl)pyrrolidine
SMILESc1ccc(CN2CCC(CCc3ccc4ccccc4c3)C2)cc1
InChIInChI=1S/C23H25N/c1-2-6-20(7-3-1)17-24-15-14-21(18-24)11-10-19-12-13-22-8-4-5-9-23(22)16-19/h1-9,12-13,16,21H,10-11,14-15,17-18H2
InChIKeyFHGYKJLJWQQBMZ-UHFFFAOYSA-N
MW315.46 g/mol
LogP5.29
Rot. Bonds5

About 1-benzyl-3-(2-naphthalen-2-ylethyl)pyrrolidine

1-benzyl-3-(2-naphthalen-2-ylethyl)pyrrolidine (PubChem CID 71090508) has the molecular formula C23H25N and a molecular weight of 315.46 g/mol. Its IUPAC name is 1-benzyl-3-(2-naphthalen-2-ylethyl)pyrrolidine.

Molecular Properties

Compound Name1-benzyl-3-(2-naphthalen-2-ylethyl)pyrrolidine
PubChem CID71090508
Molecular FormulaC23H25N
Molecular Weight315.46 g/mol
Exact Mass315.20
IUPAC Name1-benzyl-3-(2-naphthalen-2-ylethyl)pyrrolidine
SMILESc1ccc(CN2CCC(CCc3ccc4ccccc4c3)C2)cc1
InChIInChI=1S/C23H25N/c1-2-6-20(7-3-1)17-24-15-14-21(18-24)11-10-19-12-13-22-8-4-5-9-23(22)16-19/h1-9,12-13,16,21H,10-11,14-15,17-18H2
InChIKeyFHGYKJLJWQQBMZ-UHFFFAOYSA-N
XLogP5.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.46
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-[2-(1-benzylpiperidin-4-yl)ethyl]-1H-indole
CID 174880167
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CID 96555493
2-[1-(naphthalen-2-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride
CID 120728409
3-(1-benzylpyrrolidin-3-yl)propanenitrile
CID 83909920
1-benzyl-3-ethylpyrrolidine
CID 12648208
5-(1-benzylpyrrolidin-3-yl)pentan-1-amine
CID 123137581
(1-benzylpyrrolidin-3-yl)methanol;hydrochloride
CID 75485238
2-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]ethylcarbamic acid
CID 68849796
4-(2-naphthalen-2-ylethyl)piperidine
CID 43146715
1-benzyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 71930473
4-methyl-1-(naphthalen-2-ylmethyl)piperidine
CID 15153361

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2-naphthalen-2-ylethyl)pyrrolidine?
The IUPAC name of 1-benzyl-3-(2-naphthalen-2-ylethyl)pyrrolidine (CID 71090508) is 1-benzyl-3-(2-naphthalen-2-ylethyl)pyrrolidine.
What is the SMILES notation for 1-benzyl-3-(2-naphthalen-2-ylethyl)pyrrolidine?
The canonical SMILES for 1-benzyl-3-(2-naphthalen-2-ylethyl)pyrrolidine is c1ccc(CN2CCC(CCc3ccc4ccccc4c3)C2)cc1.
What is the InChIKey of 1-benzyl-3-(2-naphthalen-2-ylethyl)pyrrolidine?
The InChIKey is FHGYKJLJWQQBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N/c1-2-6-20(7-3-1)17-24-15-14-21(18-24)11-10-19-12-13-22-8-4-5-9-23(22)16-19/h1-9,12-13,16,21H,10-11,14-15,17-18H2.
What are the key properties of 1-benzyl-3-(2-naphthalen-2-ylethyl)pyrrolidine?
1-benzyl-3-(2-naphthalen-2-ylethyl)pyrrolidine has a molecular weight of 315.46 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2-naphthalen-2-ylethyl)pyrrolidine is sourced from PubChem (CID 71090508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).