[5-(2-fluoro-4,6-dimethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine

C14H21FN2O2 — CID 117424729

IUPAC[5-(2-fluoro-4,6-dimethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCOc1cc(F)c(C2CC(CN)CN2C)c(OC)c1
InChIInChI=1S/C14H21FN2O2/c1-17-8-9(7-16)4-12(17)14-11(15)5-10(18-2)6-13(14)19-3/h5-6,9,12H,4,7-8,16H2,1-3H3
InChIKeyQEDZHDONLKZCOE-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.79
Rot. Bonds4

About [5-(2-fluoro-4,6-dimethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine

[5-(2-fluoro-4,6-dimethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine (PubChem CID 117424729) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is [5-(2-fluoro-4,6-dimethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[5-(2-fluoro-4,6-dimethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
PubChem CID117424729
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name[5-(2-fluoro-4,6-dimethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCOc1cc(F)c(C2CC(CN)CN2C)c(OC)c1
InChIInChI=1S/C14H21FN2O2/c1-17-8-9(7-16)4-12(17)14-11(15)5-10(18-2)6-13(14)19-3/h5-6,9,12H,4,7-8,16H2,1-3H3
InChIKeyQEDZHDONLKZCOE-UHFFFAOYSA-N
XLogP1.79
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(3,5-dimethoxy-2-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117415847
3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-4-fluoro-5-methoxybenzene-1,2-diol
CID 117429040
3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2,4-difluoro-5-methoxyphenol
CID 117433437
2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-4-fluoro-5-methoxyphenol
CID 117389235
[5-(5-ethyl-4-fluoro-2-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117420275
[5-(2,3-difluoro-4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117394097
[1-methyl-5-(2,4,5-trifluoro-3-methoxyphenyl)pyrrolidin-3-yl]methanamine
CID 117117215
[5-[4-(fluoromethyl)-2,5-dimethoxyphenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117453931
[5-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117481346
4-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-3,5-difluorobenzoic acid
CID 117428801
[5-(2,5-dichloro-4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117467090
[5-(4-ethoxy-2-fluorophenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117384340

Frequently Asked Questions

What is the IUPAC name of [5-(2-fluoro-4,6-dimethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [5-(2-fluoro-4,6-dimethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine (CID 117424729) is [5-(2-fluoro-4,6-dimethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [5-(2-fluoro-4,6-dimethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [5-(2-fluoro-4,6-dimethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine is COc1cc(F)c(C2CC(CN)CN2C)c(OC)c1.
What is the InChIKey of [5-(2-fluoro-4,6-dimethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The InChIKey is QEDZHDONLKZCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-17-8-9(7-16)4-12(17)14-11(15)5-10(18-2)6-13(14)19-3/h5-6,9,12H,4,7-8,16H2,1-3H3.
What are the key properties of [5-(2-fluoro-4,6-dimethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine?
[5-(2-fluoro-4,6-dimethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine has a molecular weight of 268.33 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-fluoro-4,6-dimethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117424729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).