2-[4-(aminomethyl)phenoxy]-N-(2-pyrrolidin-1-ylethyl)acetamide

C15H23N3O2 — CID 62634876

IUPAC2-[4-(aminomethyl)phenoxy]-N-(2-pyrrolidin-1-ylethyl)acetamide
SMILESNCc1ccc(OCC(=O)NCCN2CCCC2)cc1
InChIInChI=1S/C15H23N3O2/c16-11-13-3-5-14(6-4-13)20-12-15(19)17-7-10-18-8-1-2-9-18/h3-6H,1-2,7-12,16H2,(H,17,19)
InChIKeyXSHOXUFNPNKIGY-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.74
Rot. Bonds7

About 2-[4-(aminomethyl)phenoxy]-N-(2-pyrrolidin-1-ylethyl)acetamide

2-[4-(aminomethyl)phenoxy]-N-(2-pyrrolidin-1-ylethyl)acetamide (PubChem CID 62634876) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenoxy]-N-(2-pyrrolidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenoxy]-N-(2-pyrrolidin-1-ylethyl)acetamide
PubChem CID62634876
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[4-(aminomethyl)phenoxy]-N-(2-pyrrolidin-1-ylethyl)acetamide
SMILESNCc1ccc(OCC(=O)NCCN2CCCC2)cc1
InChIInChI=1S/C15H23N3O2/c16-11-13-3-5-14(6-4-13)20-12-15(19)17-7-10-18-8-1-2-9-18/h3-6H,1-2,7-12,16H2,(H,17,19)
InChIKeyXSHOXUFNPNKIGY-UHFFFAOYSA-N
XLogP0.74
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-phenylmethoxyphenoxy)-N-(3-piperidin-1-ylpropyl)acetamide
CID 9405904
2-[[2-[4-(aminomethyl)phenoxy]acetyl]amino]acetamide
CID 16774708
2-(4-bromophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 888119
2-[4-(aminomethyl)phenoxy]-N-[2-(methanesulfonamido)ethyl]acetamide
CID 43545869
methyl 4-[[2-[4-(aminomethyl)phenoxy]acetyl]amino]butanoate
CID 106484765
2-[4-(aminomethyl)phenoxy]-N-(2-propan-2-yloxyethyl)acetamide
CID 104758382
2-[(2-phenoxyacetyl)amino]-N-(2-piperazin-1-ylethyl)acetamide
CID 119447721
2-(4-ethylphenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 39052897
2-[4-[4-(aminomethyl)phenyl]phenoxy]-N-ethylacetamide
CID 43366447
5-(aminomethyl)-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide
CID 63724906
2-[4-(aminomethyl)phenoxy]-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide
CID 106033671
2-(4-chlorophenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 8544780

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenoxy]-N-(2-pyrrolidin-1-ylethyl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)phenoxy]-N-(2-pyrrolidin-1-ylethyl)acetamide (CID 62634876) is 2-[4-(aminomethyl)phenoxy]-N-(2-pyrrolidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)phenoxy]-N-(2-pyrrolidin-1-ylethyl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)phenoxy]-N-(2-pyrrolidin-1-ylethyl)acetamide is NCc1ccc(OCC(=O)NCCN2CCCC2)cc1.
What is the InChIKey of 2-[4-(aminomethyl)phenoxy]-N-(2-pyrrolidin-1-ylethyl)acetamide?
The InChIKey is XSHOXUFNPNKIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c16-11-13-3-5-14(6-4-13)20-12-15(19)17-7-10-18-8-1-2-9-18/h3-6H,1-2,7-12,16H2,(H,17,19).
What are the key properties of 2-[4-(aminomethyl)phenoxy]-N-(2-pyrrolidin-1-ylethyl)acetamide?
2-[4-(aminomethyl)phenoxy]-N-(2-pyrrolidin-1-ylethyl)acetamide has a molecular weight of 277.37 g/mol, XLogP of 0.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenoxy]-N-(2-pyrrolidin-1-ylethyl)acetamide is sourced from PubChem (CID 62634876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).