2-[2-(aminomethyl)phenoxy]-N-(1-methylpyrrolidin-3-yl)acetamide

C14H21N3O2 — CID 61461595

IUPAC2-[2-(aminomethyl)phenoxy]-N-(1-methylpyrrolidin-3-yl)acetamide
SMILESCN1CCC(NC(=O)COc2ccccc2CN)C1
InChIInChI=1S/C14H21N3O2/c1-17-7-6-12(9-17)16-14(18)10-19-13-5-3-2-4-11(13)8-15/h2-5,12H,6-10,15H2,1H3,(H,16,18)
InChIKeyUGHGYLGOVXZHQJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.34
Rot. Bonds5

About 2-[2-(aminomethyl)phenoxy]-N-(1-methylpyrrolidin-3-yl)acetamide

2-[2-(aminomethyl)phenoxy]-N-(1-methylpyrrolidin-3-yl)acetamide (PubChem CID 61461595) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenoxy]-N-(1-methylpyrrolidin-3-yl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenoxy]-N-(1-methylpyrrolidin-3-yl)acetamide
PubChem CID61461595
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-[2-(aminomethyl)phenoxy]-N-(1-methylpyrrolidin-3-yl)acetamide
SMILESCN1CCC(NC(=O)COc2ccccc2CN)C1
InChIInChI=1S/C14H21N3O2/c1-17-7-6-12(9-17)16-14(18)10-19-13-5-3-2-4-11(13)8-15/h2-5,12H,6-10,15H2,1H3,(H,16,18)
InChIKeyUGHGYLGOVXZHQJ-UHFFFAOYSA-N
XLogP0.34
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethoxyphenoxy)-N-(1-methylpiperidin-4-yl)acetamide
CID 86907088
N-(1-methylpyrrolidin-3-yl)-2-(2-methylsulfanylphenyl)acetamide
CID 110473699
N-[(3S)-1-acetylpyrrolidin-3-yl]-2-(2-bromophenoxy)acetamide
CID 97249806
N-cyclopropyl-2-[2-(methylaminomethyl)phenoxy]acetamide
CID 43277196
2-methoxy-N-[(3R)-1-methylpyrrolidin-3-yl]acetamide
CID 90442595
3-amino-N-(1-methylpyrrolidin-3-yl)propanamide
CID 61465444
2-(2-aminophenoxy)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide
CID 60855037
N-cyclopropyl-2-(2-hydroxyphenoxy)acetamide
CID 2687934
N-cycloheptyl-2-[2-(methylaminomethyl)phenoxy]acetamide
CID 62548783
2-(2-fluorophenyl)-N-(1-methylpiperidin-3-yl)acetamide
CID 47344420
N-[2-(aminomethyl)phenyl]-1-methylpyrrolidin-3-amine
CID 82506999
N-[1-(2-cyanoacetyl)piperidin-4-yl]-2-(2-ethylphenoxy)acetamide
CID 108557028

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenoxy]-N-(1-methylpyrrolidin-3-yl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)phenoxy]-N-(1-methylpyrrolidin-3-yl)acetamide (CID 61461595) is 2-[2-(aminomethyl)phenoxy]-N-(1-methylpyrrolidin-3-yl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)phenoxy]-N-(1-methylpyrrolidin-3-yl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)phenoxy]-N-(1-methylpyrrolidin-3-yl)acetamide is CN1CCC(NC(=O)COc2ccccc2CN)C1.
What is the InChIKey of 2-[2-(aminomethyl)phenoxy]-N-(1-methylpyrrolidin-3-yl)acetamide?
The InChIKey is UGHGYLGOVXZHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-17-7-6-12(9-17)16-14(18)10-19-13-5-3-2-4-11(13)8-15/h2-5,12H,6-10,15H2,1H3,(H,16,18).
What are the key properties of 2-[2-(aminomethyl)phenoxy]-N-(1-methylpyrrolidin-3-yl)acetamide?
2-[2-(aminomethyl)phenoxy]-N-(1-methylpyrrolidin-3-yl)acetamide has a molecular weight of 263.34 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenoxy]-N-(1-methylpyrrolidin-3-yl)acetamide is sourced from PubChem (CID 61461595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).