2-methyl-6-[3-methyl-1-(2-phenoxyethyl)pyrrolidin-3-yl]oxyaniline

C20H26N2O2 — CID 145107872

IUPAC2-methyl-6-[3-methyl-1-(2-phenoxyethyl)pyrrolidin-3-yl]oxyaniline
SMILESCc1cccc(OC2(C)CCN(CCOc3ccccc3)C2)c1N
InChIInChI=1S/C20H26N2O2/c1-16-7-6-10-18(19(16)21)24-20(2)11-12-22(15-20)13-14-23-17-8-4-3-5-9-17/h3-10H,11-15,21H2,1-2H3
InChIKeyLZVFXXABMDQCON-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.50
Rot. Bonds6

About 2-methyl-6-[3-methyl-1-(2-phenoxyethyl)pyrrolidin-3-yl]oxyaniline

2-methyl-6-[3-methyl-1-(2-phenoxyethyl)pyrrolidin-3-yl]oxyaniline (PubChem CID 145107872) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-methyl-6-[3-methyl-1-(2-phenoxyethyl)pyrrolidin-3-yl]oxyaniline.

Molecular Properties

Compound Name2-methyl-6-[3-methyl-1-(2-phenoxyethyl)pyrrolidin-3-yl]oxyaniline
PubChem CID145107872
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name2-methyl-6-[3-methyl-1-(2-phenoxyethyl)pyrrolidin-3-yl]oxyaniline
SMILESCc1cccc(OC2(C)CCN(CCOc3ccccc3)C2)c1N
InChIInChI=1S/C20H26N2O2/c1-16-7-6-10-18(19(16)21)24-20(2)11-12-22(15-20)13-14-23-17-8-4-3-5-9-17/h3-10H,11-15,21H2,1-2H3
InChIKeyLZVFXXABMDQCON-UHFFFAOYSA-N
XLogP3.50
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[3-methyl-1-(2-phenoxyethyl)pyrrolidin-3-yl]oxyaniline?
The IUPAC name of 2-methyl-6-[3-methyl-1-(2-phenoxyethyl)pyrrolidin-3-yl]oxyaniline (CID 145107872) is 2-methyl-6-[3-methyl-1-(2-phenoxyethyl)pyrrolidin-3-yl]oxyaniline.
What is the SMILES notation for 2-methyl-6-[3-methyl-1-(2-phenoxyethyl)pyrrolidin-3-yl]oxyaniline?
The canonical SMILES for 2-methyl-6-[3-methyl-1-(2-phenoxyethyl)pyrrolidin-3-yl]oxyaniline is Cc1cccc(OC2(C)CCN(CCOc3ccccc3)C2)c1N.
What is the InChIKey of 2-methyl-6-[3-methyl-1-(2-phenoxyethyl)pyrrolidin-3-yl]oxyaniline?
The InChIKey is LZVFXXABMDQCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-16-7-6-10-18(19(16)21)24-20(2)11-12-22(15-20)13-14-23-17-8-4-3-5-9-17/h3-10H,11-15,21H2,1-2H3.
What are the key properties of 2-methyl-6-[3-methyl-1-(2-phenoxyethyl)pyrrolidin-3-yl]oxyaniline?
2-methyl-6-[3-methyl-1-(2-phenoxyethyl)pyrrolidin-3-yl]oxyaniline has a molecular weight of 326.44 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[3-methyl-1-(2-phenoxyethyl)pyrrolidin-3-yl]oxyaniline is sourced from PubChem (CID 145107872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).