[5-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine

C16H23FN2O2 — CID 117474992

IUPAC[5-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCOc1cc(F)cc(C2CC(CN)CN2C)c1OC1CC1
InChIInChI=1S/C16H23FN2O2/c1-19-9-10(8-18)5-14(19)13-6-11(17)7-15(20-2)16(13)21-12-3-4-12/h6-7,10,12,14H,3-5,8-9,18H2,1-2H3
InChIKeyZMFWGHGBQFIWEC-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.33
Rot. Bonds5

About [5-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine

[5-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine (PubChem CID 117474992) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is [5-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[5-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
PubChem CID117474992
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name[5-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCOc1cc(F)cc(C2CC(CN)CN2C)c1OC1CC1
InChIInChI=1S/C16H23FN2O2/c1-19-9-10(8-18)5-14(19)13-6-11(17)7-15(20-2)16(13)21-12-3-4-12/h6-7,10,12,14H,3-5,8-9,18H2,1-2H3
InChIKeyZMFWGHGBQFIWEC-UHFFFAOYSA-N
XLogP2.33
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2-cyclopentyloxy-3-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117489816
[5-(2,3-difluoro-4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117394097
2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-4-fluoro-5-methoxyphenol
CID 117389235
[5-[2-(cyclopropylmethoxy)-5-fluorophenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117446543
[1-methyl-5-(2,4,5-trifluoro-3-methoxyphenyl)pyrrolidin-3-yl]methanamine
CID 117117215
[5-(2-fluoro-4,6-dimethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117424729
[5-[3-(fluoromethyl)-4,5-dimethoxyphenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117453932
[5-(5-ethyl-4-fluoro-2-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117420275
[1-methyl-5-(2,3,4-trimethoxyphenyl)pyrrolidin-3-yl]methanamine
CID 117450281
2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-4,6-difluorophenol
CID 117357605
3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2,4-difluoro-5-methoxyphenol
CID 117433437
[5-(5-ethoxy-2,4-dimethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117475063

Frequently Asked Questions

What is the IUPAC name of [5-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [5-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine (CID 117474992) is [5-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [5-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [5-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine is COc1cc(F)cc(C2CC(CN)CN2C)c1OC1CC1.
What is the InChIKey of [5-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The InChIKey is ZMFWGHGBQFIWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-19-9-10(8-18)5-14(19)13-6-11(17)7-15(20-2)16(13)21-12-3-4-12/h6-7,10,12,14H,3-5,8-9,18H2,1-2H3.
What are the key properties of [5-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine?
[5-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine has a molecular weight of 294.37 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117474992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).