1-[3-(3-fluoro-5-methoxy-4-propan-2-yloxyphenyl)propyl]pyrrolidine

C17H26FNO2 — CID 144811313

IUPAC1-[3-(3-fluoro-5-methoxy-4-propan-2-yloxyphenyl)propyl]pyrrolidine
SMILESCOc1cc(CCCN2CCCC2)cc(F)c1OC(C)C
InChIInChI=1S/C17H26FNO2/c1-13(2)21-17-15(18)11-14(12-16(17)20-3)7-6-10-19-8-4-5-9-19/h11-13H,4-10H2,1-3H3
InChIKeyLALDKBAEBDZCGR-UHFFFAOYSA-N
MW295.40 g/mol
LogP3.65
Rot. Bonds7

About 1-[3-(3-fluoro-5-methoxy-4-propan-2-yloxyphenyl)propyl]pyrrolidine

1-[3-(3-fluoro-5-methoxy-4-propan-2-yloxyphenyl)propyl]pyrrolidine (PubChem CID 144811313) has the molecular formula C17H26FNO2 and a molecular weight of 295.40 g/mol. Its IUPAC name is 1-[3-(3-fluoro-5-methoxy-4-propan-2-yloxyphenyl)propyl]pyrrolidine.

Molecular Properties

Compound Name1-[3-(3-fluoro-5-methoxy-4-propan-2-yloxyphenyl)propyl]pyrrolidine
PubChem CID144811313
Molecular FormulaC17H26FNO2
Molecular Weight295.40 g/mol
Exact Mass295.19
IUPAC Name1-[3-(3-fluoro-5-methoxy-4-propan-2-yloxyphenyl)propyl]pyrrolidine
SMILESCOc1cc(CCCN2CCCC2)cc(F)c1OC(C)C
InChIInChI=1S/C17H26FNO2/c1-13(2)21-17-15(18)11-14(12-16(17)20-3)7-6-10-19-8-4-5-9-19/h11-13H,4-10H2,1-3H3
InChIKeyLALDKBAEBDZCGR-UHFFFAOYSA-N
XLogP3.65
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(3-fluoro-4,5-dimethoxyphenyl)propyl]azetidine;methanol
CID 144811327
1,4-bis[5-(3,4,5-trimethoxyphenyl)pentyl]-1,4-diazepane
CID 15227840
1-methyl-4-[3-(3,4,5-trimethoxyphenyl)propyl]piperazine
CID 170862320
(1S,2R)-1-(3-fluoro-5-methoxy-4-propan-2-yloxyphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol
CID 122470872
1-[2-(3-fluoro-4,5-dimethoxyphenyl)ethyl]piperazine
CID 117424695
1-[3-(4-methoxy-3-propan-2-yloxyphenyl)propyl]piperazine
CID 82160589
2,3-dimethoxy-5-(2-piperidin-1-ylethyl)phenol
CID 174530545
1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(3-piperidin-1-ylpropyl)piperazine
CID 71886708
2-[4-(5-chlorothiophen-2-yl)phenyl]-2,2-difluoroacetamide;1-[3-(3-fluoro-4,5-dimethoxyphenyl)propyl]pyrrolidine
CID 144811208
1-[3-(3-fluoro-4,5-dimethoxyphenyl)propyl]pyrrolidine;(3R)-1-[6-(4-fluorophenyl)-2-pyridinyl]pyrrolidine-3-carboxamide
CID 144839851
2,3-dimethoxy-5-[3-(4-methylpiperidin-1-yl)propyl]aniline
CID 82070771
8-methoxy-6-(3-piperidin-1-ylpropyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 82070749

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-fluoro-5-methoxy-4-propan-2-yloxyphenyl)propyl]pyrrolidine?
The IUPAC name of 1-[3-(3-fluoro-5-methoxy-4-propan-2-yloxyphenyl)propyl]pyrrolidine (CID 144811313) is 1-[3-(3-fluoro-5-methoxy-4-propan-2-yloxyphenyl)propyl]pyrrolidine.
What is the SMILES notation for 1-[3-(3-fluoro-5-methoxy-4-propan-2-yloxyphenyl)propyl]pyrrolidine?
The canonical SMILES for 1-[3-(3-fluoro-5-methoxy-4-propan-2-yloxyphenyl)propyl]pyrrolidine is COc1cc(CCCN2CCCC2)cc(F)c1OC(C)C.
What is the InChIKey of 1-[3-(3-fluoro-5-methoxy-4-propan-2-yloxyphenyl)propyl]pyrrolidine?
The InChIKey is LALDKBAEBDZCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO2/c1-13(2)21-17-15(18)11-14(12-16(17)20-3)7-6-10-19-8-4-5-9-19/h11-13H,4-10H2,1-3H3.
What are the key properties of 1-[3-(3-fluoro-5-methoxy-4-propan-2-yloxyphenyl)propyl]pyrrolidine?
1-[3-(3-fluoro-5-methoxy-4-propan-2-yloxyphenyl)propyl]pyrrolidine has a molecular weight of 295.40 g/mol, XLogP of 3.65, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-fluoro-5-methoxy-4-propan-2-yloxyphenyl)propyl]pyrrolidine is sourced from PubChem (CID 144811313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).