2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-2-methylpyrrolidine

C15H20FNO2 — CID 117417338

IUPAC2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-2-methylpyrrolidine
SMILESCOc1cc(F)cc(C2(C)CCCN2)c1OC1CC1
InChIInChI=1S/C15H20FNO2/c1-15(6-3-7-17-15)12-8-10(16)9-13(18-2)14(12)19-11-4-5-11/h8-9,11,17H,3-7H2,1-2H3
InChIKeyDPMURROAVCPEOH-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.97
Rot. Bonds4

About 2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-2-methylpyrrolidine

2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-2-methylpyrrolidine (PubChem CID 117417338) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-2-methylpyrrolidine.

Molecular Properties

Compound Name2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-2-methylpyrrolidine
PubChem CID117417338
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-2-methylpyrrolidine
SMILESCOc1cc(F)cc(C2(C)CCCN2)c1OC1CC1
InChIInChI=1S/C15H20FNO2/c1-15(6-3-7-17-15)12-8-10(16)9-13(18-2)14(12)19-11-4-5-11/h8-9,11,17H,3-7H2,1-2H3
InChIKeyDPMURROAVCPEOH-UHFFFAOYSA-N
XLogP2.97
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluoro-2,4,5-trimethoxyphenyl)-2-methylpyrrolidine
CID 117426521
[1-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)cyclopentyl]methanamine
CID 117448113
1-[1-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)cyclopropyl]ethanamine
CID 117417328
2-(4,5-dimethoxy-2,3-dimethylphenyl)-2-methylpyrrolidine
CID 117377238
2-(2-fluoro-3,4-dimethoxy-5-methylphenyl)-2-methylpyrrolidine
CID 117386391
2-(4-chloro-3,5-difluoro-2-methoxyphenyl)-2-methylpyrrolidine
CID 117409093
2-(2-chloro-3,5-difluorophenyl)-2-methylpyrrolidine
CID 117335365
2-(2,4-dimethoxy-5-methylphenyl)-2-methylpyrrolidine
CID 117343013
2-(2-methoxy-5-methylphenyl)-2-methylpyrrolidine
CID 66467357
2-(3-bromo-5-fluoro-2-methylphenyl)-2-methylpyrrolidine
CID 117432844
2-(3-chloro-2-fluoro-4-methoxyphenyl)-2-methylpyrrolidine
CID 117361392
2-(2,4-dimethoxy-3-methylsulfanylphenyl)-2-methylpyrrolidine
CID 117422224

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-2-methylpyrrolidine?
The IUPAC name of 2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-2-methylpyrrolidine (CID 117417338) is 2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-2-methylpyrrolidine.
What is the SMILES notation for 2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-2-methylpyrrolidine?
The canonical SMILES for 2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-2-methylpyrrolidine is COc1cc(F)cc(C2(C)CCCN2)c1OC1CC1.
What is the InChIKey of 2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-2-methylpyrrolidine?
The InChIKey is DPMURROAVCPEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-15(6-3-7-17-15)12-8-10(16)9-13(18-2)14(12)19-11-4-5-11/h8-9,11,17H,3-7H2,1-2H3.
What are the key properties of 2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-2-methylpyrrolidine?
2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-2-methylpyrrolidine has a molecular weight of 265.33 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-2-methylpyrrolidine is sourced from PubChem (CID 117417338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).