3-[1-(2,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-methylpropan-1-amine

C16H26N2O2 — CID 83981273

IUPAC3-[1-(2,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-methylpropan-1-amine
SMILESCOc1ccc(OC)c(N2CCC(CC(C)CN)C2)c1
InChIInChI=1S/C16H26N2O2/c1-12(10-17)8-13-6-7-18(11-13)15-9-14(19-2)4-5-16(15)20-3/h4-5,9,12-13H,6-8,10-11,17H2,1-3H3
InChIKeyFVHBYIXBLCWXOM-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.52
Rot. Bonds6

About 3-[1-(2,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-methylpropan-1-amine

3-[1-(2,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-methylpropan-1-amine (PubChem CID 83981273) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-[1-(2,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-[1-(2,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-methylpropan-1-amine
PubChem CID83981273
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-[1-(2,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-methylpropan-1-amine
SMILESCOc1ccc(OC)c(N2CCC(CC(C)CN)C2)c1
InChIInChI=1S/C16H26N2O2/c1-12(10-17)8-13-6-7-18(11-13)15-9-14(19-2)4-5-16(15)20-3/h4-5,9,12-13H,6-8,10-11,17H2,1-3H3
InChIKeyFVHBYIXBLCWXOM-UHFFFAOYSA-N
XLogP2.52
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 54792843
3-[1-(4-methoxyphenyl)pyrrolidin-3-yl]-2-methylpropan-1-ol
CID 83981177
3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine
CID 83983377
2-[[1-(2,5-dimethoxyphenyl)pyrrolidin-3-yl]amino]acetonitrile
CID 117004681
1-(2,5-dimethoxyphenyl)-N-methylpiperidin-4-amine
CID 43315071
3-[1-(4-chlorophenyl)pyrrolidin-3-yl]-2-methylpropan-1-amine
CID 83981422
1-[1-(2,5-dimethoxyphenyl)pyrrolidin-3-yl]butan-1-one
CID 83981268
3-[1-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylpropan-1-amine
CID 83982024
N-[[1-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62512555
3-cyclopropyl-1-(2,5-dimethoxyphenyl)piperazine
CID 64925366
3-butan-2-yl-1-(2,5-dimethoxyphenyl)-1,4-diazepane
CID 64942271
2,5-dimethoxy-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 47091619

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-methylpropan-1-amine?
The IUPAC name of 3-[1-(2,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-methylpropan-1-amine (CID 83981273) is 3-[1-(2,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 3-[1-(2,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-methylpropan-1-amine?
The canonical SMILES for 3-[1-(2,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-methylpropan-1-amine is COc1ccc(OC)c(N2CCC(CC(C)CN)C2)c1.
What is the InChIKey of 3-[1-(2,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-methylpropan-1-amine?
The InChIKey is FVHBYIXBLCWXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(10-17)8-13-6-7-18(11-13)15-9-14(19-2)4-5-16(15)20-3/h4-5,9,12-13H,6-8,10-11,17H2,1-3H3.
What are the key properties of 3-[1-(2,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-methylpropan-1-amine?
3-[1-(2,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-methylpropan-1-amine has a molecular weight of 278.40 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 83981273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).