3-[5-(2-fluoropropan-2-yl)-2,4-dimethoxyphenyl]pyrrolidine

C15H22FNO2 — CID 117421917

IUPAC3-[5-(2-fluoropropan-2-yl)-2,4-dimethoxyphenyl]pyrrolidine
SMILESCOc1cc(OC)c(C(C)(C)F)cc1C1CCNC1
InChIInChI=1S/C15H22FNO2/c1-15(2,16)12-7-11(10-5-6-17-9-10)13(18-3)8-14(12)19-4/h7-8,10,17H,5-6,9H2,1-4H3
InChIKeyQOFBQLWIMGEICG-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.99
Rot. Bonds4

About 3-[5-(2-fluoropropan-2-yl)-2,4-dimethoxyphenyl]pyrrolidine

3-[5-(2-fluoropropan-2-yl)-2,4-dimethoxyphenyl]pyrrolidine (PubChem CID 117421917) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 3-[5-(2-fluoropropan-2-yl)-2,4-dimethoxyphenyl]pyrrolidine.

Molecular Properties

Compound Name3-[5-(2-fluoropropan-2-yl)-2,4-dimethoxyphenyl]pyrrolidine
PubChem CID117421917
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name3-[5-(2-fluoropropan-2-yl)-2,4-dimethoxyphenyl]pyrrolidine
SMILESCOc1cc(OC)c(C(C)(C)F)cc1C1CCNC1
InChIInChI=1S/C15H22FNO2/c1-15(2,16)12-7-11(10-5-6-17-9-10)13(18-3)8-14(12)19-4/h7-8,10,17H,5-6,9H2,1-4H3
InChIKeyQOFBQLWIMGEICG-UHFFFAOYSA-N
XLogP2.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]pyrrolidine
CID 117439944
3-(5-tert-butyl-4-methoxy-2-methylphenyl)pyrrolidine
CID 82498615
3-(5-fluoro-2-methoxy-4-methylphenyl)pyrrolidine
CID 84676979
3-(4-bromo-2,5-dimethoxyphenyl)pyrrolidine
CID 82134857
4-[[5-(2-fluoropropan-2-yl)-2,4-dimethoxyphenyl]methyl]piperidine
CID 117476126
(3S)-3-[5-fluoro-2-methoxy-4-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 162471999
3-[3-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]pyrrolidine
CID 117430881
3-(2,4-dimethoxyphenyl)pyrrolidine;hydrochloride
CID 169498250
3-[4-methoxy-3-(trifluoromethyl)phenyl]pyrrolidine
CID 84705043
3-(5-fluoro-4-methoxy-2-methylphenyl)pyrrolidine
CID 84780694
2-[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]piperidine
CID 117451731
3-[5-(difluoromethyl)-2,4-dimethoxyphenyl]piperidine
CID 117430926

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluoropropan-2-yl)-2,4-dimethoxyphenyl]pyrrolidine?
The IUPAC name of 3-[5-(2-fluoropropan-2-yl)-2,4-dimethoxyphenyl]pyrrolidine (CID 117421917) is 3-[5-(2-fluoropropan-2-yl)-2,4-dimethoxyphenyl]pyrrolidine.
What is the SMILES notation for 3-[5-(2-fluoropropan-2-yl)-2,4-dimethoxyphenyl]pyrrolidine?
The canonical SMILES for 3-[5-(2-fluoropropan-2-yl)-2,4-dimethoxyphenyl]pyrrolidine is COc1cc(OC)c(C(C)(C)F)cc1C1CCNC1.
What is the InChIKey of 3-[5-(2-fluoropropan-2-yl)-2,4-dimethoxyphenyl]pyrrolidine?
The InChIKey is QOFBQLWIMGEICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-15(2,16)12-7-11(10-5-6-17-9-10)13(18-3)8-14(12)19-4/h7-8,10,17H,5-6,9H2,1-4H3.
What are the key properties of 3-[5-(2-fluoropropan-2-yl)-2,4-dimethoxyphenyl]pyrrolidine?
3-[5-(2-fluoropropan-2-yl)-2,4-dimethoxyphenyl]pyrrolidine has a molecular weight of 267.34 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluoropropan-2-yl)-2,4-dimethoxyphenyl]pyrrolidine is sourced from PubChem (CID 117421917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).