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

C15H23FN2O2 — CID 117453931

IUPAC[5-[4-(fluoromethyl)-2,5-dimethoxyphenyl]-1-methylpyrrolidin-3-yl]methanamine
SMILESCOc1cc(C2CC(CN)CN2C)c(OC)cc1CF
InChIInChI=1S/C15H23FN2O2/c1-18-9-10(8-17)4-13(18)12-6-14(19-2)11(7-16)5-15(12)20-3/h5-6,10,13H,4,7-9,17H2,1-3H3
InChIKeyVJNFKZHPUZNKOZ-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.12
Rot. Bonds5

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

[5-[4-(fluoromethyl)-2,5-dimethoxyphenyl]-1-methylpyrrolidin-3-yl]methanamine (PubChem CID 117453931) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is [5-[4-(fluoromethyl)-2,5-dimethoxyphenyl]-1-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[5-[4-(fluoromethyl)-2,5-dimethoxyphenyl]-1-methylpyrrolidin-3-yl]methanamine
PubChem CID117453931
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name[5-[4-(fluoromethyl)-2,5-dimethoxyphenyl]-1-methylpyrrolidin-3-yl]methanamine
SMILESCOc1cc(C2CC(CN)CN2C)c(OC)cc1CF
InChIInChI=1S/C15H23FN2O2/c1-18-9-10(8-17)4-13(18)12-6-14(19-2)11(7-16)5-15(12)20-3/h5-6,10,13H,4,7-9,17H2,1-3H3
InChIKeyVJNFKZHPUZNKOZ-UHFFFAOYSA-N
XLogP2.12
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(5-ethyl-4-fluoro-2-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117420275
[5-(5-ethoxy-2,4-dimethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117475063
[5-[3-(fluoromethyl)-4,5-dimethoxyphenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117453932
2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-4-fluoro-5-methoxyphenol
CID 117389235
[5-(2,3-difluoro-4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117394097
[5-(2,5-dichloro-4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117467090
[5-(5-methoxy-2-methyl-1H-indol-6-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 117436417
[5-(2-fluoro-4,6-dimethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117424729
[5-(3,5-dimethoxy-2-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117415847
[1-methyl-5-(2,3,4-trimethoxyphenyl)pyrrolidin-3-yl]methanamine
CID 117450281
3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2,4-difluoro-5-methoxyphenol
CID 117433437
[1-methyl-5-(2,4,5-trifluoro-3-methoxyphenyl)pyrrolidin-3-yl]methanamine
CID 117117215

Frequently Asked Questions

What is the IUPAC name of [5-[4-(fluoromethyl)-2,5-dimethoxyphenyl]-1-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [5-[4-(fluoromethyl)-2,5-dimethoxyphenyl]-1-methylpyrrolidin-3-yl]methanamine (CID 117453931) is [5-[4-(fluoromethyl)-2,5-dimethoxyphenyl]-1-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [5-[4-(fluoromethyl)-2,5-dimethoxyphenyl]-1-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [5-[4-(fluoromethyl)-2,5-dimethoxyphenyl]-1-methylpyrrolidin-3-yl]methanamine is COc1cc(C2CC(CN)CN2C)c(OC)cc1CF.
What is the InChIKey of [5-[4-(fluoromethyl)-2,5-dimethoxyphenyl]-1-methylpyrrolidin-3-yl]methanamine?
The InChIKey is VJNFKZHPUZNKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-18-9-10(8-17)4-13(18)12-6-14(19-2)11(7-16)5-15(12)20-3/h5-6,10,13H,4,7-9,17H2,1-3H3.
What are the key properties of [5-[4-(fluoromethyl)-2,5-dimethoxyphenyl]-1-methylpyrrolidin-3-yl]methanamine?
[5-[4-(fluoromethyl)-2,5-dimethoxyphenyl]-1-methylpyrrolidin-3-yl]methanamine has a molecular weight of 282.36 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(fluoromethyl)-2,5-dimethoxyphenyl]-1-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117453931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).