3-[1-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylpropan-1-amine

C16H26N2O2 — CID 83982024

IUPAC3-[1-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylpropan-1-amine
SMILESCNCCCC1CCN(c2ccc(OC)cc2OC)C1
InChIInChI=1S/C16H26N2O2/c1-17-9-4-5-13-8-10-18(12-13)15-7-6-14(19-2)11-16(15)20-3/h6-7,11,13,17H,4-5,8-10,12H2,1-3H3
InChIKeyBGBJYRWOEOGIOS-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.53
Rot. Bonds7

About 3-[1-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylpropan-1-amine

3-[1-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylpropan-1-amine (PubChem CID 83982024) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-[1-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[1-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylpropan-1-amine
PubChem CID83982024
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-[1-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylpropan-1-amine
SMILESCNCCCC1CCN(c2ccc(OC)cc2OC)C1
InChIInChI=1S/C16H26N2O2/c1-17-9-4-5-13-8-10-18(12-13)15-7-6-14(19-2)11-16(15)20-3/h6-7,11,13,17H,4-5,8-10,12H2,1-3H3
InChIKeyBGBJYRWOEOGIOS-UHFFFAOYSA-N
XLogP2.53
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62512555
N-[[1-(2,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 54792843
3-(5-methoxy-1-methyl-2,3-dihydroindol-3-yl)-N-methylpropan-1-amine
CID 117202519
N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-(methylamino)butanamide
CID 119870925
3-cyclopropyl-1-(2,4-dimethoxyphenyl)piperazine
CID 64924196
1-(2,4-dimethoxyphenyl)-3,3-dimethylpiperidin-4-ol
CID 117024245
3-[1-(2,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-methylpropan-1-amine
CID 83981273
[4-(2,4-dimethoxyphenyl)piperazin-2-yl]methanamine
CID 117026870
2,5-dimethoxy-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 47091619
1-[1-(4-chloro-2,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62513534
3-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine
CID 117201453
1-(2,5-dimethoxyphenyl)-N-methylpiperidin-4-amine
CID 43315071

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylpropan-1-amine?
The IUPAC name of 3-[1-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylpropan-1-amine (CID 83982024) is 3-[1-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[1-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylpropan-1-amine?
The canonical SMILES for 3-[1-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylpropan-1-amine is CNCCCC1CCN(c2ccc(OC)cc2OC)C1.
What is the InChIKey of 3-[1-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylpropan-1-amine?
The InChIKey is BGBJYRWOEOGIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-17-9-4-5-13-8-10-18(12-13)15-7-6-14(19-2)11-16(15)20-3/h6-7,11,13,17H,4-5,8-10,12H2,1-3H3.
What are the key properties of 3-[1-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylpropan-1-amine?
3-[1-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylpropan-1-amine has a molecular weight of 278.40 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 83982024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).