[1-methyl-5-(2,3,4-trimethoxyphenyl)pyrrolidin-3-yl]methanamine

C15H24N2O3 — CID 117450281

IUPAC[1-methyl-5-(2,3,4-trimethoxyphenyl)pyrrolidin-3-yl]methanamine
SMILESCOc1ccc(C2CC(CN)CN2C)c(OC)c1OC
InChIInChI=1S/C15H24N2O3/c1-17-9-10(8-16)7-12(17)11-5-6-13(18-2)15(20-4)14(11)19-3/h5-6,10,12H,7-9,16H2,1-4H3
InChIKeyOACFLARKPSZSCA-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.66
Rot. Bonds5

About [1-methyl-5-(2,3,4-trimethoxyphenyl)pyrrolidin-3-yl]methanamine

[1-methyl-5-(2,3,4-trimethoxyphenyl)pyrrolidin-3-yl]methanamine (PubChem CID 117450281) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is [1-methyl-5-(2,3,4-trimethoxyphenyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-methyl-5-(2,3,4-trimethoxyphenyl)pyrrolidin-3-yl]methanamine
PubChem CID117450281
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name[1-methyl-5-(2,3,4-trimethoxyphenyl)pyrrolidin-3-yl]methanamine
SMILESCOc1ccc(C2CC(CN)CN2C)c(OC)c1OC
InChIInChI=1S/C15H24N2O3/c1-17-9-10(8-16)7-12(17)11-5-6-13(18-2)15(20-4)14(11)19-3/h5-6,10,12H,7-9,16H2,1-4H3
InChIKeyOACFLARKPSZSCA-UHFFFAOYSA-N
XLogP1.66
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2,3-dimethoxyphenol
CID 117420119
[5-(2,3-dimethoxy-6-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117415862
[5-(3-methoxy-2-propan-2-yloxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117446721
[5-(7-methoxy-1H-indol-4-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 117402429
[5-(2,3-difluoro-4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117394097
[5-(2-cyclopentyloxy-3-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117489816
[5-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 117438845
[5-(3-methoxy-2-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117341079
[5-(2-methoxy-3-methylsulfanylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117420365
[5-(2-methoxynaphthalen-1-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 117429310
[5-(2,5-dichloro-4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117467090
[5-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 117467828

Frequently Asked Questions

What is the IUPAC name of [1-methyl-5-(2,3,4-trimethoxyphenyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-methyl-5-(2,3,4-trimethoxyphenyl)pyrrolidin-3-yl]methanamine (CID 117450281) is [1-methyl-5-(2,3,4-trimethoxyphenyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-methyl-5-(2,3,4-trimethoxyphenyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-methyl-5-(2,3,4-trimethoxyphenyl)pyrrolidin-3-yl]methanamine is COc1ccc(C2CC(CN)CN2C)c(OC)c1OC.
What is the InChIKey of [1-methyl-5-(2,3,4-trimethoxyphenyl)pyrrolidin-3-yl]methanamine?
The InChIKey is OACFLARKPSZSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-17-9-10(8-16)7-12(17)11-5-6-13(18-2)15(20-4)14(11)19-3/h5-6,10,12H,7-9,16H2,1-4H3.
What are the key properties of [1-methyl-5-(2,3,4-trimethoxyphenyl)pyrrolidin-3-yl]methanamine?
[1-methyl-5-(2,3,4-trimethoxyphenyl)pyrrolidin-3-yl]methanamine has a molecular weight of 280.37 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-5-(2,3,4-trimethoxyphenyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117450281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).