N-(2,4,6-trimethoxyphenyl)pyrrolidin-3-amine

C13H20N2O3 — CID 115118637

IUPACN-(2,4,6-trimethoxyphenyl)pyrrolidin-3-amine
SMILESCOc1cc(OC)c(NC2CCNC2)c(OC)c1
InChIInChI=1S/C13H20N2O3/c1-16-10-6-11(17-2)13(12(7-10)18-3)15-9-4-5-14-8-9/h6-7,9,14-15H,4-5,8H2,1-3H3
InChIKeyBKHYFQVRFLBAMK-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.49
Rot. Bonds5

About N-(2,4,6-trimethoxyphenyl)pyrrolidin-3-amine

N-(2,4,6-trimethoxyphenyl)pyrrolidin-3-amine (PubChem CID 115118637) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-(2,4,6-trimethoxyphenyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-(2,4,6-trimethoxyphenyl)pyrrolidin-3-amine
PubChem CID115118637
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-(2,4,6-trimethoxyphenyl)pyrrolidin-3-amine
SMILESCOc1cc(OC)c(NC2CCNC2)c(OC)c1
InChIInChI=1S/C13H20N2O3/c1-16-10-6-11(17-2)13(12(7-10)18-3)15-9-4-5-14-8-9/h6-7,9,14-15H,4-5,8H2,1-3H3
InChIKeyBKHYFQVRFLBAMK-UHFFFAOYSA-N
XLogP1.49
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dimethoxyphenyl)pyrrolidin-3-amine;ethane
CID 176696090
(3R)-N-(4-chloro-3-methoxyphenyl)pyrrolidin-3-amine
CID 155923260
N-[(2,4-dimethoxy-6-methylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 115208846
3,5-dimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119967317
2,5-dimethoxy-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79686260
N-[(2,4-dimethoxyphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 115208780
6-(4-methoxyphenyl)-2-methyl-N-pyrrolidin-3-ylpyrimidin-4-amine
CID 82191981
3-(2,6-difluoro-4-methoxyphosphinin-1-ium-1-yl)pyrrolidine
CID 154930710
6-methoxy-4-methyl-N-pyrrolidin-3-ylquinolin-2-amine
CID 67443498
3-methoxy-5-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
CID 119453724
N-(2,4-dimethoxy-6-methylphenyl)-N-methylpyrrolidin-3-amine
CID 115118772
3-(2,4-dimethoxyphenyl)pyrrolidine;hydrochloride
CID 169498250

Frequently Asked Questions

What is the IUPAC name of N-(2,4,6-trimethoxyphenyl)pyrrolidin-3-amine?
The IUPAC name of N-(2,4,6-trimethoxyphenyl)pyrrolidin-3-amine (CID 115118637) is N-(2,4,6-trimethoxyphenyl)pyrrolidin-3-amine.
What is the SMILES notation for N-(2,4,6-trimethoxyphenyl)pyrrolidin-3-amine?
The canonical SMILES for N-(2,4,6-trimethoxyphenyl)pyrrolidin-3-amine is COc1cc(OC)c(NC2CCNC2)c(OC)c1.
What is the InChIKey of N-(2,4,6-trimethoxyphenyl)pyrrolidin-3-amine?
The InChIKey is BKHYFQVRFLBAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-16-10-6-11(17-2)13(12(7-10)18-3)15-9-4-5-14-8-9/h6-7,9,14-15H,4-5,8H2,1-3H3.
What are the key properties of N-(2,4,6-trimethoxyphenyl)pyrrolidin-3-amine?
N-(2,4,6-trimethoxyphenyl)pyrrolidin-3-amine has a molecular weight of 252.31 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,6-trimethoxyphenyl)pyrrolidin-3-amine is sourced from PubChem (CID 115118637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).