ethyl 2-[4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]phenoxy]acetate

C17H26N2O3 — CID 120780403

IUPACethyl 2-[4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(CN2CCC(C)(CN)C2)cc1
InChIInChI=1S/C17H26N2O3/c1-3-21-16(20)11-22-15-6-4-14(5-7-15)10-19-9-8-17(2,12-18)13-19/h4-7H,3,8-13,18H2,1-2H3
InChIKeySRRYQIZWHFPSCT-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.80
Rot. Bonds7

About ethyl 2-[4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]phenoxy]acetate

ethyl 2-[4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]phenoxy]acetate (PubChem CID 120780403) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is ethyl 2-[4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]phenoxy]acetate
PubChem CID120780403
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Nameethyl 2-[4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(CN2CCC(C)(CN)C2)cc1
InChIInChI=1S/C17H26N2O3/c1-3-21-16(20)11-22-15-6-4-14(5-7-15)10-19-9-8-17(2,12-18)13-19/h4-7H,3,8-13,18H2,1-2H3
InChIKeySRRYQIZWHFPSCT-UHFFFAOYSA-N
XLogP1.80
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]phenoxy]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-2,6-dimethylphenoxy]acetate
CID 120780333
[3-methyl-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120772784
[3-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine
CID 120773051
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]acetamide;hydrochloride
CID 120773098
[3-methyl-1-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120780374
[1-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120772034
1-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 65064263
[1-[(4-tert-butylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120771872
[3-methyl-1-[(4-pyrazin-2-yloxyphenyl)methyl]pyrrolidin-3-yl]methanamine
CID 120780919
[1-[(6-methoxynaphthalen-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780544
ethyl 2-[4-[[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]methyl]phenoxy]acetate
CID 120769240
ethyl 2-[4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-3,5-dimethylpyrazol-1-yl]acetate
CID 120847008

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]phenoxy]acetate?
The IUPAC name of ethyl 2-[4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]phenoxy]acetate (CID 120780403) is ethyl 2-[4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]phenoxy]acetate?
The canonical SMILES for ethyl 2-[4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]phenoxy]acetate is CCOC(=O)COc1ccc(CN2CCC(C)(CN)C2)cc1.
What is the InChIKey of ethyl 2-[4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]phenoxy]acetate?
The InChIKey is SRRYQIZWHFPSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-3-21-16(20)11-22-15-6-4-14(5-7-15)10-19-9-8-17(2,12-18)13-19/h4-7H,3,8-13,18H2,1-2H3.
What are the key properties of ethyl 2-[4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]phenoxy]acetate?
ethyl 2-[4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]phenoxy]acetate has a molecular weight of 306.41 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]phenoxy]acetate is sourced from PubChem (CID 120780403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).