[2,3-difluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]methanamine

C12H16F2N2O — CID 107933093

IUPAC[2,3-difluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]methanamine
SMILESCOC1CCN(c2ccc(CN)c(F)c2F)C1
InChIInChI=1S/C12H16F2N2O/c1-17-9-4-5-16(7-9)10-3-2-8(6-15)11(13)12(10)14/h2-3,9H,4-7,15H2,1H3
InChIKeyRYMQGNAWFLNRND-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.65
Rot. Bonds3

About [2,3-difluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]methanamine

[2,3-difluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]methanamine (PubChem CID 107933093) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is [2,3-difluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2,3-difluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]methanamine
PubChem CID107933093
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name[2,3-difluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]methanamine
SMILESCOC1CCN(c2ccc(CN)c(F)c2F)C1
InChIInChI=1S/C12H16F2N2O/c1-17-9-4-5-16(7-9)10-3-2-8(6-15)11(13)12(10)14/h2-3,9H,4-7,15H2,1H3
InChIKeyRYMQGNAWFLNRND-UHFFFAOYSA-N
XLogP1.65
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-methoxypyrrolidin-1-yl)-4-methylphenyl]methanamine
CID 103530729
[2,3-difluoro-4-[3-(methoxymethyl)piperidin-1-yl]phenyl]methanamine
CID 107933095
[3-fluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]methanamine
CID 103530728
1-[1-[4-(aminomethyl)-2,3-difluorophenyl]pyrrolidin-3-yl]ethanol
CID 107933036
[2,3-difluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 107932932
1-(3-chloro-2-fluorophenyl)-3-methoxypyrrolidine
CID 90124088
N-[[1-[4-(aminomethyl)-2,3-difluorophenyl]piperidin-4-yl]methyl]acetamide
CID 107933077
[2-bromo-3-fluoro-4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methanamine
CID 107532524
[2,3-difluoro-4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methanamine
CID 107932981
[2-(3-methoxypyrrolidin-1-yl)-6-methylsulfanylphenyl]methanamine
CID 103530704
3-fluoro-4-(3-methoxypyrrolidin-1-yl)aniline
CID 103530518
[2-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 103530731

Frequently Asked Questions

What is the IUPAC name of [2,3-difluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]methanamine?
The IUPAC name of [2,3-difluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]methanamine (CID 107933093) is [2,3-difluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]methanamine.
What is the SMILES notation for [2,3-difluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]methanamine?
The canonical SMILES for [2,3-difluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]methanamine is COC1CCN(c2ccc(CN)c(F)c2F)C1.
What is the InChIKey of [2,3-difluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]methanamine?
The InChIKey is RYMQGNAWFLNRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-17-9-4-5-16(7-9)10-3-2-8(6-15)11(13)12(10)14/h2-3,9H,4-7,15H2,1H3.
What are the key properties of [2,3-difluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]methanamine?
[2,3-difluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]methanamine has a molecular weight of 242.27 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-difluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]methanamine is sourced from PubChem (CID 107933093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).