N-(2-chloro-4,5-dimethoxyphenyl)-1,5-dimethylpyrrolidin-3-amine

C14H21ClN2O2 — CID 81466523

IUPACN-(2-chloro-4,5-dimethoxyphenyl)-1,5-dimethylpyrrolidin-3-amine
SMILESCOc1cc(Cl)c(NC2CC(C)N(C)C2)cc1OC
InChIInChI=1S/C14H21ClN2O2/c1-9-5-10(8-17(9)2)16-12-7-14(19-4)13(18-3)6-11(12)15/h6-7,9-10,16H,5,8H2,1-4H3
InChIKeyHLLKZPXAGNPQGR-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.86
Rot. Bonds4

About N-(2-chloro-4,5-dimethoxyphenyl)-1,5-dimethylpyrrolidin-3-amine

N-(2-chloro-4,5-dimethoxyphenyl)-1,5-dimethylpyrrolidin-3-amine (PubChem CID 81466523) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is N-(2-chloro-4,5-dimethoxyphenyl)-1,5-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(2-chloro-4,5-dimethoxyphenyl)-1,5-dimethylpyrrolidin-3-amine
PubChem CID81466523
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC NameN-(2-chloro-4,5-dimethoxyphenyl)-1,5-dimethylpyrrolidin-3-amine
SMILESCOc1cc(Cl)c(NC2CC(C)N(C)C2)cc1OC
InChIInChI=1S/C14H21ClN2O2/c1-9-5-10(8-17(9)2)16-12-7-14(19-4)13(18-3)6-11(12)15/h6-7,9-10,16H,5,8H2,1-4H3
InChIKeyHLLKZPXAGNPQGR-UHFFFAOYSA-N
XLogP2.86
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,5-dimethoxyphenyl)-1,5-dimethylpyrrolidin-3-amine?
The IUPAC name of N-(2-chloro-4,5-dimethoxyphenyl)-1,5-dimethylpyrrolidin-3-amine (CID 81466523) is N-(2-chloro-4,5-dimethoxyphenyl)-1,5-dimethylpyrrolidin-3-amine.
What is the SMILES notation for N-(2-chloro-4,5-dimethoxyphenyl)-1,5-dimethylpyrrolidin-3-amine?
The canonical SMILES for N-(2-chloro-4,5-dimethoxyphenyl)-1,5-dimethylpyrrolidin-3-amine is COc1cc(Cl)c(NC2CC(C)N(C)C2)cc1OC.
What is the InChIKey of N-(2-chloro-4,5-dimethoxyphenyl)-1,5-dimethylpyrrolidin-3-amine?
The InChIKey is HLLKZPXAGNPQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-9-5-10(8-17(9)2)16-12-7-14(19-4)13(18-3)6-11(12)15/h6-7,9-10,16H,5,8H2,1-4H3.
What are the key properties of N-(2-chloro-4,5-dimethoxyphenyl)-1,5-dimethylpyrrolidin-3-amine?
N-(2-chloro-4,5-dimethoxyphenyl)-1,5-dimethylpyrrolidin-3-amine has a molecular weight of 284.79 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,5-dimethoxyphenyl)-1,5-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 81466523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).