[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]methanamine

C13H19FN2O — CID 113453609

IUPAC[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]methanamine
SMILESCOc1cccc(CN2CCCC2CN)c1F
InChIInChI=1S/C13H19FN2O/c1-17-12-6-2-4-10(13(12)14)9-16-7-3-5-11(16)8-15/h2,4,6,11H,3,5,7-9,15H2,1H3
InChIKeyHSLBGBYBSNOZMC-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.76
Rot. Bonds4

About [1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]methanamine

[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]methanamine (PubChem CID 113453609) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is [1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]methanamine
PubChem CID113453609
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]methanamine
SMILESCOc1cccc(CN2CCCC2CN)c1F
InChIInChI=1S/C13H19FN2O/c1-17-12-6-2-4-10(13(12)14)9-16-7-3-5-11(16)8-15/h2,4,6,11H,3,5,7-9,15H2,1H3
InChIKeyHSLBGBYBSNOZMC-UHFFFAOYSA-N
XLogP1.76
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 104794526
N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-2-yl]methyl]ethanamine
CID 104792400
3-[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-2-yl]propanoic acid
CID 104792731
[1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanamine
CID 115311651
[1-[(2,3-dimethylphenyl)methyl]pyrrolidin-2-yl]methanamine
CID 115311614
[1-[(2-fluoro-3-methoxyphenyl)methyl]-5-methylpyrrolidin-3-yl]methanamine
CID 104792901
[1-(naphthalen-1-ylmethyl)pyrrolidin-2-yl]methanamine
CID 43187015
(2S)-1-[(2-fluoro-3-methoxyphenyl)methyl]-2-(1H-imidazol-2-yl)piperidine
CID 124625332
[1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 120966357
4-chloro-1-[(2-fluoro-3-methoxyphenyl)methyl]piperidine
CID 104794846
[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine
CID 14709038
3-cyclopropyl-1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine
CID 113453904

Frequently Asked Questions

What is the IUPAC name of [1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]methanamine?
The IUPAC name of [1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]methanamine (CID 113453609) is [1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]methanamine is COc1cccc(CN2CCCC2CN)c1F.
What is the InChIKey of [1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]methanamine?
The InChIKey is HSLBGBYBSNOZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-17-12-6-2-4-10(13(12)14)9-16-7-3-5-11(16)8-15/h2,4,6,11H,3,5,7-9,15H2,1H3.
What are the key properties of [1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]methanamine?
[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]methanamine has a molecular weight of 238.31 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 113453609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).