2-[2-(aminomethyl)phenyl]-N-[2-(2-hydroxyethoxy)ethyl]acetamide

C13H20N2O3 — CID 81322828

IUPAC2-[2-(aminomethyl)phenyl]-N-[2-(2-hydroxyethoxy)ethyl]acetamide
SMILESNCc1ccccc1CC(=O)NCCOCCO
InChIInChI=1S/C13H20N2O3/c14-10-12-4-2-1-3-11(12)9-13(17)15-5-7-18-8-6-16/h1-4,16H,5-10,14H2,(H,15,17)
InChIKeyGHBLOIIBNKYMLV-UHFFFAOYSA-N
MW252.31 g/mol
LogP-0.19
Rot. Bonds8

About 2-[2-(aminomethyl)phenyl]-N-[2-(2-hydroxyethoxy)ethyl]acetamide

2-[2-(aminomethyl)phenyl]-N-[2-(2-hydroxyethoxy)ethyl]acetamide (PubChem CID 81322828) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]-N-[2-(2-hydroxyethoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]-N-[2-(2-hydroxyethoxy)ethyl]acetamide
PubChem CID81322828
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-[2-(aminomethyl)phenyl]-N-[2-(2-hydroxyethoxy)ethyl]acetamide
SMILESNCc1ccccc1CC(=O)NCCOCCO
InChIInChI=1S/C13H20N2O3/c14-10-12-4-2-1-3-11(12)9-13(17)15-5-7-18-8-6-16/h1-4,16H,5-10,14H2,(H,15,17)
InChIKeyGHBLOIIBNKYMLV-UHFFFAOYSA-N
XLogP-0.19
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 62499909
2-[2-(aminomethyl)phenyl]-N-(2-but-3-enoxyethyl)acetamide
CID 106398038
2-[2-(aminomethyl)phenyl]-N-(3-ethoxypropyl)acetamide
CID 81318083
2-[2-(aminomethyl)phenyl]-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 81317526
3-amino-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 61274475
N-[2-(2-chloroethoxy)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 114297434
N-[2-(2-hydroxyethoxy)ethyl]-3-phenoxypropanamide
CID 60654485
3-[[2-[2-(aminomethyl)phenyl]acetyl]amino]-N,N-diethylpropanamide
CID 81311740
2-(2-aminophenyl)-N-(2-but-3-enoxyethyl)acetamide
CID 103950989
2-amino-N-[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoethyl]acetamide
CID 61274286
(2S)-2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-phenylpropanamide
CID 61275037
1-[2-(2-hydroxyethoxy)ethyl]-3-[2-(2-methylphenyl)ethyl]urea
CID 108899714

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenyl]-N-[2-(2-hydroxyethoxy)ethyl]acetamide?
The IUPAC name of 2-[2-(aminomethyl)phenyl]-N-[2-(2-hydroxyethoxy)ethyl]acetamide (CID 81322828) is 2-[2-(aminomethyl)phenyl]-N-[2-(2-hydroxyethoxy)ethyl]acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]-N-[2-(2-hydroxyethoxy)ethyl]acetamide?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]-N-[2-(2-hydroxyethoxy)ethyl]acetamide is NCc1ccccc1CC(=O)NCCOCCO.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]-N-[2-(2-hydroxyethoxy)ethyl]acetamide?
The InChIKey is GHBLOIIBNKYMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c14-10-12-4-2-1-3-11(12)9-13(17)15-5-7-18-8-6-16/h1-4,16H,5-10,14H2,(H,15,17).
What are the key properties of 2-[2-(aminomethyl)phenyl]-N-[2-(2-hydroxyethoxy)ethyl]acetamide?
2-[2-(aminomethyl)phenyl]-N-[2-(2-hydroxyethoxy)ethyl]acetamide has a molecular weight of 252.31 g/mol, XLogP of -0.19, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenyl]-N-[2-(2-hydroxyethoxy)ethyl]acetamide is sourced from PubChem (CID 81322828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).