1-[2-(4-ethoxyphenoxy)ethyl]-4-methylpyrrolidin-3-amine

C15H24N2O2 — CID 103576954

IUPAC1-[2-(4-ethoxyphenoxy)ethyl]-4-methylpyrrolidin-3-amine
SMILESCCOc1ccc(OCCN2CC(C)C(N)C2)cc1
InChIInChI=1S/C15H24N2O2/c1-3-18-13-4-6-14(7-5-13)19-9-8-17-10-12(2)15(16)11-17/h4-7,12,15H,3,8-11,16H2,1-2H3
InChIKeyXDIDPUOHTXYRGG-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.74
Rot. Bonds6

About 1-[2-(4-ethoxyphenoxy)ethyl]-4-methylpyrrolidin-3-amine

1-[2-(4-ethoxyphenoxy)ethyl]-4-methylpyrrolidin-3-amine (PubChem CID 103576954) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[2-(4-ethoxyphenoxy)ethyl]-4-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-(4-ethoxyphenoxy)ethyl]-4-methylpyrrolidin-3-amine
PubChem CID103576954
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-[2-(4-ethoxyphenoxy)ethyl]-4-methylpyrrolidin-3-amine
SMILESCCOc1ccc(OCCN2CC(C)C(N)C2)cc1
InChIInChI=1S/C15H24N2O2/c1-3-18-13-4-6-14(7-5-13)19-9-8-17-10-12(2)15(16)11-17/h4-7,12,15H,3,8-11,16H2,1-2H3
InChIKeyXDIDPUOHTXYRGG-UHFFFAOYSA-N
XLogP1.74
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-amine
CID 103576883
1-[2-(4-tert-butylphenoxy)ethyl]-4-methylpyrrolidin-3-amine
CID 103576633
4-methyl-1-(3-phenoxypropyl)pyrrolidin-3-amine
CID 103577059
1-[2-(4-ethoxyphenoxy)ethyl]-3,5-dimethylpiperazine
CID 63871973
(3S)-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119933726
(3S,5S)-1-[3-(4-ethoxyphenoxy)propyl]-3,5-dimethylpiperidine
CID 2184451
1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine
CID 803619
1-[2-(4-ethoxyphenoxy)ethyl]-3-methylpiperazine
CID 65448827
4-methyl-1-[2-(2-methylphenoxy)ethyl]pyrrolidin-3-amine
CID 103576944
1-[3-(3,5-dimethylphenoxy)propyl]-4-methylpyrrolidin-3-amine
CID 103576527
2-[1-[2-(4-ethoxyphenoxy)ethyl]azetidin-3-yl]acetic acid
CID 64617332
1-[2-(4-methoxyphenyl)ethyl]-4-methylpyrrolidin-3-amine
CID 103576951

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethoxyphenoxy)ethyl]-4-methylpyrrolidin-3-amine?
The IUPAC name of 1-[2-(4-ethoxyphenoxy)ethyl]-4-methylpyrrolidin-3-amine (CID 103576954) is 1-[2-(4-ethoxyphenoxy)ethyl]-4-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2-(4-ethoxyphenoxy)ethyl]-4-methylpyrrolidin-3-amine?
The canonical SMILES for 1-[2-(4-ethoxyphenoxy)ethyl]-4-methylpyrrolidin-3-amine is CCOc1ccc(OCCN2CC(C)C(N)C2)cc1.
What is the InChIKey of 1-[2-(4-ethoxyphenoxy)ethyl]-4-methylpyrrolidin-3-amine?
The InChIKey is XDIDPUOHTXYRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-18-13-4-6-14(7-5-13)19-9-8-17-10-12(2)15(16)11-17/h4-7,12,15H,3,8-11,16H2,1-2H3.
What are the key properties of 1-[2-(4-ethoxyphenoxy)ethyl]-4-methylpyrrolidin-3-amine?
1-[2-(4-ethoxyphenoxy)ethyl]-4-methylpyrrolidin-3-amine has a molecular weight of 264.37 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethoxyphenoxy)ethyl]-4-methylpyrrolidin-3-amine is sourced from PubChem (CID 103576954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).