2-[(4-ethoxy-3-methoxyphenyl)methyl]-2-propan-2-ylpyrrolidine

C17H27NO2 — CID 104688531

IUPAC2-[(4-ethoxy-3-methoxyphenyl)methyl]-2-propan-2-ylpyrrolidine
SMILESCCOc1ccc(CC2(C(C)C)CCCN2)cc1OC
InChIInChI=1S/C17H27NO2/c1-5-20-15-8-7-14(11-16(15)19-4)12-17(13(2)3)9-6-10-18-17/h7-8,11,13,18H,5-6,9-10,12H2,1-4H3
InChIKeyFVTKMJXTTKJCQZ-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.41
Rot. Bonds6

About 2-[(4-ethoxy-3-methoxyphenyl)methyl]-2-propan-2-ylpyrrolidine

2-[(4-ethoxy-3-methoxyphenyl)methyl]-2-propan-2-ylpyrrolidine (PubChem CID 104688531) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[(4-ethoxy-3-methoxyphenyl)methyl]-2-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name2-[(4-ethoxy-3-methoxyphenyl)methyl]-2-propan-2-ylpyrrolidine
PubChem CID104688531
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-[(4-ethoxy-3-methoxyphenyl)methyl]-2-propan-2-ylpyrrolidine
SMILESCCOc1ccc(CC2(C(C)C)CCCN2)cc1OC
InChIInChI=1S/C17H27NO2/c1-5-20-15-8-7-14(11-16(15)19-4)12-17(13(2)3)9-6-10-18-17/h7-8,11,13,18H,5-6,9-10,12H2,1-4H3
InChIKeyFVTKMJXTTKJCQZ-UHFFFAOYSA-N
XLogP3.41
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-2-propan-2-ylpyrrolidine
CID 66466509
2-[(3-bromophenyl)methyl]-2-propan-2-ylpyrrolidine
CID 66468325
2-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-propan-2-ylpyrrolidine
CID 104688570
2-(2-ethoxy-5-methylphenyl)-2-methylpyrrolidine
CID 117313031
2-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2-methylpyrrolidine
CID 104688104
N-(4-ethoxy-3-methoxyphenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83062927
2-(2-methoxy-5-methylphenyl)-2-methylpyrrolidine
CID 66467357
(2R)-4-(4-ethoxy-3-methoxyphenyl)butan-2-ol
CID 94920372
2-(2,5-dimethoxyphenyl)-2-propan-2-ylpyrrolidine
CID 66465821
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119714589
2-(3,4-dimethoxyphenyl)-2-propan-2-ylpyrrolidine
CID 66467199
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-methylcyclopentan-1-amine
CID 61365376

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxy-3-methoxyphenyl)methyl]-2-propan-2-ylpyrrolidine?
The IUPAC name of 2-[(4-ethoxy-3-methoxyphenyl)methyl]-2-propan-2-ylpyrrolidine (CID 104688531) is 2-[(4-ethoxy-3-methoxyphenyl)methyl]-2-propan-2-ylpyrrolidine.
What is the SMILES notation for 2-[(4-ethoxy-3-methoxyphenyl)methyl]-2-propan-2-ylpyrrolidine?
The canonical SMILES for 2-[(4-ethoxy-3-methoxyphenyl)methyl]-2-propan-2-ylpyrrolidine is CCOc1ccc(CC2(C(C)C)CCCN2)cc1OC.
What is the InChIKey of 2-[(4-ethoxy-3-methoxyphenyl)methyl]-2-propan-2-ylpyrrolidine?
The InChIKey is FVTKMJXTTKJCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-5-20-15-8-7-14(11-16(15)19-4)12-17(13(2)3)9-6-10-18-17/h7-8,11,13,18H,5-6,9-10,12H2,1-4H3.
What are the key properties of 2-[(4-ethoxy-3-methoxyphenyl)methyl]-2-propan-2-ylpyrrolidine?
2-[(4-ethoxy-3-methoxyphenyl)methyl]-2-propan-2-ylpyrrolidine has a molecular weight of 277.41 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxy-3-methoxyphenyl)methyl]-2-propan-2-ylpyrrolidine is sourced from PubChem (CID 104688531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).