2-[4-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]phenoxy]acetamide

C14H21N3O2 — CID 62069126

IUPAC2-[4-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]phenoxy]acetamide
SMILESNCC1CCN(Cc2ccc(OCC(N)=O)cc2)C1
InChIInChI=1S/C14H21N3O2/c15-7-12-5-6-17(9-12)8-11-1-3-13(4-2-11)19-10-14(16)18/h1-4,12H,5-10,15H2,(H2,16,18)
InChIKeyNYEXPIDANUXYKF-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.33
Rot. Bonds6

About 2-[4-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]phenoxy]acetamide

2-[4-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]phenoxy]acetamide (PubChem CID 62069126) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[4-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]phenoxy]acetamide
PubChem CID62069126
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-[4-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]phenoxy]acetamide
SMILESNCC1CCN(Cc2ccc(OCC(N)=O)cc2)C1
InChIInChI=1S/C14H21N3O2/c15-7-12-5-6-17(9-12)8-11-1-3-13(4-2-11)19-10-14(16)18/h1-4,12H,5-10,15H2,(H2,16,18)
InChIKeyNYEXPIDANUXYKF-UHFFFAOYSA-N
XLogP0.33
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[4-(methylaminomethyl)piperidin-1-yl]methyl]phenoxy]acetamide
CID 63251014
2-[4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenoxy]acetamide
CID 61206346
2-[4-[[(3S,4S)-3,4-dihydroxypiperidin-1-yl]methyl]phenoxy]acetic acid
CID 74233182
[1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine
CID 55030271
2-[4-[[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]methyl]phenoxy]acetamide
CID 95486417
2-[4-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]phenyl]propanoic acid
CID 105345955
[1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-3-yl]methanamine
CID 54794603
2-[4-[[(2S)-2-(4-chlorophenyl)morpholin-4-yl]methyl]phenoxy]acetamide
CID 95415223
[(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanamine
CID 42253835
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(4-chlorophenoxy)ethanone
CID 62062854
2-[4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-ylmethyl)phenoxy]acetamide
CID 102678701
[1-[(4-trimethylsilylphenyl)methyl]pyrrolidin-3-yl]methanamine
CID 103438151

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]phenoxy]acetamide?
The IUPAC name of 2-[4-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]phenoxy]acetamide (CID 62069126) is 2-[4-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]phenoxy]acetamide is NCC1CCN(Cc2ccc(OCC(N)=O)cc2)C1.
What is the InChIKey of 2-[4-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]phenoxy]acetamide?
The InChIKey is NYEXPIDANUXYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c15-7-12-5-6-17(9-12)8-11-1-3-13(4-2-11)19-10-14(16)18/h1-4,12H,5-10,15H2,(H2,16,18).
What are the key properties of 2-[4-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]phenoxy]acetamide?
2-[4-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]phenoxy]acetamide has a molecular weight of 263.34 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]phenoxy]acetamide is sourced from PubChem (CID 62069126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).