1-[2-(furan-2-yl)ethyl]-2-(6-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine;hydrochloride

C27H32ClNO2 — CID 67868052

IUPAC1-[2-(furan-2-yl)ethyl]-2-(6-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine;hydrochloride
SMILESCOc1ccc2c(c1)CC(c1ccccc1)CC2C1CCCN1CCc1ccco1.Cl
InChIInChI=1S/C27H31NO2.ClH/c1-29-24-11-12-25-22(18-24)17-21(20-7-3-2-4-8-20)19-26(25)27-10-5-14-28(27)15-13-23-9-6-16-30-23;/h2-4,6-9,11-12,16,18,21,26-27H,5,10,13-15,17,19H2,1H3;1H
InChIKeyALITYNINWCWSFO-UHFFFAOYSA-N
MW438.01 g/mol
LogP6.23
Rot. Bonds6

About 1-[2-(furan-2-yl)ethyl]-2-(6-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine;hydrochloride

1-[2-(furan-2-yl)ethyl]-2-(6-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine;hydrochloride (PubChem CID 67868052) has the molecular formula C27H32ClNO2 and a molecular weight of 438.01 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)ethyl]-2-(6-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name1-[2-(furan-2-yl)ethyl]-2-(6-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine;hydrochloride
PubChem CID67868052
Molecular FormulaC27H32ClNO2
Molecular Weight438.01 g/mol
Exact Mass437.21
IUPAC Name1-[2-(furan-2-yl)ethyl]-2-(6-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine;hydrochloride
SMILESCOc1ccc2c(c1)CC(c1ccccc1)CC2C1CCCN1CCc1ccco1.Cl
InChIInChI=1S/C27H31NO2.ClH/c1-29-24-11-12-25-22(18-24)17-21(20-7-3-2-4-8-20)19-26(25)27-10-5-14-28(27)15-13-23-9-6-16-30-23;/h2-4,6-9,11-12,16,18,21,26-27H,5,10,13-15,17,19H2,1H3;1H
InChIKeyALITYNINWCWSFO-UHFFFAOYSA-N
XLogP6.23
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.01
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3aR,9bR)-2-[2-(furan-2-yl)ethyl]-7-methoxy-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindole
CID 10040293
4-benzyl-9-methoxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline
CID 14039984
(1R,9R,10R)-17-(furan-2-ylmethyl)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
CID 154274315
2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 51260677
N-(furan-2-ylmethylcarbamoyl)-2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 47006382
1-[2-[4-[(1R,2S)-5-methoxy-2-phenyl-2,3-dihydro-1H-inden-1-yl]phenoxy]ethyl]pyrrolidine
CID 3088987
1-[3-(benzenesulfonyl)propyl]-2-(3-methoxyphenyl)pyrrolidine
CID 55923064
2-(furan-2-yl)-5-[[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]methyl]pyrimidine
CID 95869290
N-(furan-2-ylmethyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510207
(2S)-1-ethyl-2-(3-methoxyphenyl)pyrrolidine
CID 95154091
(4aR,10bS)-9-methoxy-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine
CID 18603956
1-[2-[4-[(1R,2R)-6-methoxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]pyrrolidine
CID 12018054

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)ethyl]-2-(6-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine;hydrochloride?
The IUPAC name of 1-[2-(furan-2-yl)ethyl]-2-(6-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine;hydrochloride (CID 67868052) is 1-[2-(furan-2-yl)ethyl]-2-(6-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine;hydrochloride.
What is the SMILES notation for 1-[2-(furan-2-yl)ethyl]-2-(6-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine;hydrochloride?
The canonical SMILES for 1-[2-(furan-2-yl)ethyl]-2-(6-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine;hydrochloride is COc1ccc2c(c1)CC(c1ccccc1)CC2C1CCCN1CCc1ccco1.Cl.
What is the InChIKey of 1-[2-(furan-2-yl)ethyl]-2-(6-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine;hydrochloride?
The InChIKey is ALITYNINWCWSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO2.ClH/c1-29-24-11-12-25-22(18-24)17-21(20-7-3-2-4-8-20)19-26(25)27-10-5-14-28(27)15-13-23-9-6-16-30-23;/h2-4,6-9,11-12,16,18,21,26-27H,5,10,13-15,17,19H2,1H3;1H.
What are the key properties of 1-[2-(furan-2-yl)ethyl]-2-(6-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine;hydrochloride?
1-[2-(furan-2-yl)ethyl]-2-(6-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine;hydrochloride has a molecular weight of 438.01 g/mol, XLogP of 6.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)ethyl]-2-(6-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine;hydrochloride is sourced from PubChem (CID 67868052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).