1-[2-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)ethyl]-3-fluoropyrrolidine

C18H24FNO2 — CID 22104543

IUPAC1-[2-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)ethyl]-3-fluoropyrrolidine
SMILESCOc1cc2c(cc1OC)CCC(CCN1CCC(F)C1)=C2
InChIInChI=1S/C18H24FNO2/c1-21-17-10-14-4-3-13(9-15(14)11-18(17)22-2)5-7-20-8-6-16(19)12-20/h9-11,16H,3-8,12H2,1-2H3
InChIKeyZYOHIIFJWINNAH-UHFFFAOYSA-N
MW305.39 g/mol
LogP3.47
Rot. Bonds5

About 1-[2-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)ethyl]-3-fluoropyrrolidine

1-[2-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)ethyl]-3-fluoropyrrolidine (PubChem CID 22104543) has the molecular formula C18H24FNO2 and a molecular weight of 305.39 g/mol. Its IUPAC name is 1-[2-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)ethyl]-3-fluoropyrrolidine.

Molecular Properties

Compound Name1-[2-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)ethyl]-3-fluoropyrrolidine
PubChem CID22104543
Molecular FormulaC18H24FNO2
Molecular Weight305.39 g/mol
Exact Mass305.18
IUPAC Name1-[2-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)ethyl]-3-fluoropyrrolidine
SMILESCOc1cc2c(cc1OC)CCC(CCN1CCC(F)C1)=C2
InChIInChI=1S/C18H24FNO2/c1-21-17-10-14-4-3-13(9-15(14)11-18(17)22-2)5-7-20-8-6-16(19)12-20/h9-11,16H,3-8,12H2,1-2H3
InChIKeyZYOHIIFJWINNAH-UHFFFAOYSA-N
XLogP3.47
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)methyl]pyrrolidine;hydrochloride
CID 90673394
1-[2-(6,7-dimethyl-3,4-dihydronaphthalen-2-yl)ethyl]piperidine
CID 22104511
6-[3-[(3S)-3-fluoropyrrolidin-1-yl]propoxy]-7-methoxy-10-methyl-2,3,4,4a-tetrahydro-1H-acridine
CID 175854717
6,7-dimethoxy-3-methyl-1,2-dihydronaphthalene
CID 10703379
1-benzyl-4-[(5,6-dimethoxy-1H-inden-2-yl)methyl]piperidine;hydrochloride
CID 14553348
5-[2-(3-fluoropyrrolidin-1-yl)ethyl]-1-methyl-4-(trifluoromethyl)pyridin-2-one
CID 176690583
1-(2-bromoethoxy)-2-methoxy-4-nitrobenzene;3-fluoro-1-[2-(2-methoxy-4-nitrophenoxy)ethyl]pyrrolidine
CID 87801734
2-[(3S)-3-fluoropyrrolidin-1-yl]-N-methylethanamine
CID 134444038
4-[(5,6-dimethoxy-1H-inden-2-yl)methyl]piperidine
CID 11572611
6,7-dimethoxy-2-[2-[6-(4-methoxyphenyl)-2H-chromen-3-yl]ethyl]-3,4-dihydro-1H-isoquinoline
CID 118719374
7,8-dimethoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride
CID 23462892
1-[2-(5-fluoro-2-methoxyphenyl)ethyl]piperidin-4-amine
CID 82298212

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)ethyl]-3-fluoropyrrolidine?
The IUPAC name of 1-[2-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)ethyl]-3-fluoropyrrolidine (CID 22104543) is 1-[2-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)ethyl]-3-fluoropyrrolidine.
What is the SMILES notation for 1-[2-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)ethyl]-3-fluoropyrrolidine?
The canonical SMILES for 1-[2-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)ethyl]-3-fluoropyrrolidine is COc1cc2c(cc1OC)CCC(CCN1CCC(F)C1)=C2.
What is the InChIKey of 1-[2-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)ethyl]-3-fluoropyrrolidine?
The InChIKey is ZYOHIIFJWINNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO2/c1-21-17-10-14-4-3-13(9-15(14)11-18(17)22-2)5-7-20-8-6-16(19)12-20/h9-11,16H,3-8,12H2,1-2H3.
What are the key properties of 1-[2-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)ethyl]-3-fluoropyrrolidine?
1-[2-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)ethyl]-3-fluoropyrrolidine has a molecular weight of 305.39 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)ethyl]-3-fluoropyrrolidine is sourced from PubChem (CID 22104543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).