(2,5-dimethoxyphenyl)-pyrrolidin-2-ylmethanamine

C13H20N2O2 — CID 82291674

IUPAC(2,5-dimethoxyphenyl)-pyrrolidin-2-ylmethanamine
SMILESCOc1ccc(OC)c(C(N)C2CCCN2)c1
InChIInChI=1S/C13H20N2O2/c1-16-9-5-6-12(17-2)10(8-9)13(14)11-4-3-7-15-11/h5-6,8,11,13,15H,3-4,7,14H2,1-2H3
InChIKeyOAHMBGWGGAMLCP-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.46
Rot. Bonds4

About (2,5-dimethoxyphenyl)-pyrrolidin-2-ylmethanamine

(2,5-dimethoxyphenyl)-pyrrolidin-2-ylmethanamine (PubChem CID 82291674) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)-pyrrolidin-2-ylmethanamine.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)-pyrrolidin-2-ylmethanamine
PubChem CID82291674
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name(2,5-dimethoxyphenyl)-pyrrolidin-2-ylmethanamine
SMILESCOc1ccc(OC)c(C(N)C2CCCN2)c1
InChIInChI=1S/C13H20N2O2/c1-16-9-5-6-12(17-2)10(8-9)13(14)11-4-3-7-15-11/h5-6,8,11,13,15H,3-4,7,14H2,1-2H3
InChIKeyOAHMBGWGGAMLCP-UHFFFAOYSA-N
XLogP1.46
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methoxyphenyl)-pyrrolidin-2-ylmethanamine
CID 82283349
(R)-cyclohexyl-(2,5-dimethoxyphenyl)methanamine;hydrochloride
CID 171200242
(R)-(3-fluoro-4-methoxyphenyl)-[(2S)-pyrrolidin-2-yl]methanamine
CID 95446450
(5-chloro-4-methoxy-2-methylphenyl)-pyrrolidin-2-ylmethanamine
CID 82299044
(2,5-dimethoxyphenyl)-(3-methylcyclohexyl)methanamine
CID 55120876
1-(2,5-dimethoxyphenyl)-2-pyrrolidin-2-ylethanol
CID 79559655
(S)-(2,5-dimethoxyphenyl)-(oxan-4-yl)methanamine
CID 94891789
(2-methoxy-5-methylphenyl)-pyrrolidin-2-ylmethanol
CID 64866825
2-(2,5-dimethoxyphenyl)sulfanylpyrrolidine
CID 117033009
(1R,2S)-2-amino-1-cyclobutyl-2-(2,5-dimethoxyphenyl)ethanol
CID 171162371
(2,5-dimethoxyphenyl)-(1-methylpiperazin-2-yl)methanamine
CID 116941249
(2,5-dimethoxyphenyl)-(3-ethylcyclopentyl)methanamine
CID 65411014

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)-pyrrolidin-2-ylmethanamine?
The IUPAC name of (2,5-dimethoxyphenyl)-pyrrolidin-2-ylmethanamine (CID 82291674) is (2,5-dimethoxyphenyl)-pyrrolidin-2-ylmethanamine.
What is the SMILES notation for (2,5-dimethoxyphenyl)-pyrrolidin-2-ylmethanamine?
The canonical SMILES for (2,5-dimethoxyphenyl)-pyrrolidin-2-ylmethanamine is COc1ccc(OC)c(C(N)C2CCCN2)c1.
What is the InChIKey of (2,5-dimethoxyphenyl)-pyrrolidin-2-ylmethanamine?
The InChIKey is OAHMBGWGGAMLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-16-9-5-6-12(17-2)10(8-9)13(14)11-4-3-7-15-11/h5-6,8,11,13,15H,3-4,7,14H2,1-2H3.
What are the key properties of (2,5-dimethoxyphenyl)-pyrrolidin-2-ylmethanamine?
(2,5-dimethoxyphenyl)-pyrrolidin-2-ylmethanamine has a molecular weight of 236.31 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxyphenyl)-pyrrolidin-2-ylmethanamine is sourced from PubChem (CID 82291674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).