2-[2-fluoro-1-(3-methoxyphenyl)propan-2-yl]pyrrolidine

C14H20FNO — CID 105499373

IUPAC2-[2-fluoro-1-(3-methoxyphenyl)propan-2-yl]pyrrolidine
SMILESCOc1cccc(CC(C)(F)C2CCCN2)c1
InChIInChI=1S/C14H20FNO/c1-14(15,13-7-4-8-16-13)10-11-5-3-6-12(9-11)17-2/h3,5-6,9,13,16H,4,7-8,10H2,1-2H3
InChIKeyNVCRVJGJXMVUJV-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.72
Rot. Bonds4

About 2-[2-fluoro-1-(3-methoxyphenyl)propan-2-yl]pyrrolidine

2-[2-fluoro-1-(3-methoxyphenyl)propan-2-yl]pyrrolidine (PubChem CID 105499373) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-[2-fluoro-1-(3-methoxyphenyl)propan-2-yl]pyrrolidine.

Molecular Properties

Compound Name2-[2-fluoro-1-(3-methoxyphenyl)propan-2-yl]pyrrolidine
PubChem CID105499373
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name2-[2-fluoro-1-(3-methoxyphenyl)propan-2-yl]pyrrolidine
SMILESCOc1cccc(CC(C)(F)C2CCCN2)c1
InChIInChI=1S/C14H20FNO/c1-14(15,13-7-4-8-16-13)10-11-5-3-6-12(9-11)17-2/h3,5-6,9,13,16H,4,7-8,10H2,1-2H3
InChIKeyNVCRVJGJXMVUJV-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluoro-1-phenylpropan-2-yl)piperidine
CID 83853698
2-(3-methoxyphenyl)-1-pyrrolidin-2-ylethanol
CID 82080040
2-[(2,5-dimethoxyphenyl)-difluoromethyl]pyrrolidine
CID 116838944
N-[(3-methoxyphenyl)methyl]-N-methyl-1-(3-methylpiperidin-2-yl)methanamine
CID 107069067
2-[2-(3-methoxyphenyl)ethyl]azepane
CID 113443145
2-fluoro-2-[(3-methoxyphenyl)methyl]-3,3-dimethylbutan-1-amine
CID 112566569
2-[(3-methoxyphenyl)methyl]-5-pyrrolidin-2-yl-1,3,4-oxadiazole
CID 82665656
3-methoxy-N-(pyrrolidin-2-ylmethyl)aniline
CID 75062155
(2S)-N-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 50944119
N-[(3-methoxyphenyl)methyl]-N,3-dimethylpiperidine-2-carboxamide
CID 62339975
1-(azepan-2-yl)-2-(3-methoxyphenyl)ethanone
CID 116582555
2-[(3-methoxyphenyl)methyl]-5-(trifluoromethyl)piperidine
CID 106778535

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-1-(3-methoxyphenyl)propan-2-yl]pyrrolidine?
The IUPAC name of 2-[2-fluoro-1-(3-methoxyphenyl)propan-2-yl]pyrrolidine (CID 105499373) is 2-[2-fluoro-1-(3-methoxyphenyl)propan-2-yl]pyrrolidine.
What is the SMILES notation for 2-[2-fluoro-1-(3-methoxyphenyl)propan-2-yl]pyrrolidine?
The canonical SMILES for 2-[2-fluoro-1-(3-methoxyphenyl)propan-2-yl]pyrrolidine is COc1cccc(CC(C)(F)C2CCCN2)c1.
What is the InChIKey of 2-[2-fluoro-1-(3-methoxyphenyl)propan-2-yl]pyrrolidine?
The InChIKey is NVCRVJGJXMVUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-14(15,13-7-4-8-16-13)10-11-5-3-6-12(9-11)17-2/h3,5-6,9,13,16H,4,7-8,10H2,1-2H3.
What are the key properties of 2-[2-fluoro-1-(3-methoxyphenyl)propan-2-yl]pyrrolidine?
2-[2-fluoro-1-(3-methoxyphenyl)propan-2-yl]pyrrolidine has a molecular weight of 237.32 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-1-(3-methoxyphenyl)propan-2-yl]pyrrolidine is sourced from PubChem (CID 105499373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).