2-[(3-fluoro-5-methoxy-4-propan-2-ylphenyl)methyl]pyrrolidine

C15H22FNO — CID 117382016

IUPAC2-[(3-fluoro-5-methoxy-4-propan-2-ylphenyl)methyl]pyrrolidine
SMILESCOc1cc(CC2CCCN2)cc(F)c1C(C)C
InChIInChI=1S/C15H22FNO/c1-10(2)15-13(16)8-11(9-14(15)18-3)7-12-5-4-6-17-12/h8-10,12,17H,4-7H2,1-3H3
InChIKeyRGYLWCANUIWLDO-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.25
Rot. Bonds4

About 2-[(3-fluoro-5-methoxy-4-propan-2-ylphenyl)methyl]pyrrolidine

2-[(3-fluoro-5-methoxy-4-propan-2-ylphenyl)methyl]pyrrolidine (PubChem CID 117382016) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 2-[(3-fluoro-5-methoxy-4-propan-2-ylphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-[(3-fluoro-5-methoxy-4-propan-2-ylphenyl)methyl]pyrrolidine
PubChem CID117382016
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name2-[(3-fluoro-5-methoxy-4-propan-2-ylphenyl)methyl]pyrrolidine
SMILESCOc1cc(CC2CCCN2)cc(F)c1C(C)C
InChIInChI=1S/C15H22FNO/c1-10(2)15-13(16)8-11(9-14(15)18-3)7-12-5-4-6-17-12/h8-10,12,17H,4-7H2,1-3H3
InChIKeyRGYLWCANUIWLDO-UHFFFAOYSA-N
XLogP3.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117386331
2-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]pyrrolidine
CID 117320360
2-[[3,5-dimethoxy-4-(methoxymethyl)phenyl]methyl]pyrrolidine
CID 117417638
2-[(3,4,5-trifluorophenyl)methyl]pyrrolidine
CID 104688006
2-[[3-(difluoromethyl)-4-methoxyphenyl]methyl]pyrrolidine
CID 117355063
2-methoxy-6-methyl-4-(pyrrolidin-2-ylmethyl)phenol
CID 117316517
3-fluoro-2-methoxy-5-(pyrrolidin-2-ylmethyl)benzonitrile
CID 117340394
2-[(3-fluoro-5-methoxyphenyl)methyl]pyrrolidine
CID 84677033
2-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]pyrrolidine
CID 117396171
2-[[3,5-dimethoxy-4-(methoxymethyl)phenyl]methyl]piperidine
CID 117448273
2-[[3-methoxy-4-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 84806173
2-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 117401448

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-5-methoxy-4-propan-2-ylphenyl)methyl]pyrrolidine?
The IUPAC name of 2-[(3-fluoro-5-methoxy-4-propan-2-ylphenyl)methyl]pyrrolidine (CID 117382016) is 2-[(3-fluoro-5-methoxy-4-propan-2-ylphenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-[(3-fluoro-5-methoxy-4-propan-2-ylphenyl)methyl]pyrrolidine?
The canonical SMILES for 2-[(3-fluoro-5-methoxy-4-propan-2-ylphenyl)methyl]pyrrolidine is COc1cc(CC2CCCN2)cc(F)c1C(C)C.
What is the InChIKey of 2-[(3-fluoro-5-methoxy-4-propan-2-ylphenyl)methyl]pyrrolidine?
The InChIKey is RGYLWCANUIWLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-10(2)15-13(16)8-11(9-14(15)18-3)7-12-5-4-6-17-12/h8-10,12,17H,4-7H2,1-3H3.
What are the key properties of 2-[(3-fluoro-5-methoxy-4-propan-2-ylphenyl)methyl]pyrrolidine?
2-[(3-fluoro-5-methoxy-4-propan-2-ylphenyl)methyl]pyrrolidine has a molecular weight of 251.34 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-5-methoxy-4-propan-2-ylphenyl)methyl]pyrrolidine is sourced from PubChem (CID 117382016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).