2-[[2-(2-aminophenyl)-2-hydroxyethyl]-methylamino]-N-ethylacetamide

C13H21N3O2 — CID 62265975

IUPAC2-[[2-(2-aminophenyl)-2-hydroxyethyl]-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)CC(O)c1ccccc1N
InChIInChI=1S/C13H21N3O2/c1-3-15-13(18)9-16(2)8-12(17)10-6-4-5-7-11(10)14/h4-7,12,17H,3,8-9,14H2,1-2H3,(H,15,18)
InChIKeyMRTJNHSZZTURHY-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.37
Rot. Bonds6

About 2-[[2-(2-aminophenyl)-2-hydroxyethyl]-methylamino]-N-ethylacetamide

2-[[2-(2-aminophenyl)-2-hydroxyethyl]-methylamino]-N-ethylacetamide (PubChem CID 62265975) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[[2-(2-aminophenyl)-2-hydroxyethyl]-methylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[[2-(2-aminophenyl)-2-hydroxyethyl]-methylamino]-N-ethylacetamide
PubChem CID62265975
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-[[2-(2-aminophenyl)-2-hydroxyethyl]-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)CC(O)c1ccccc1N
InChIInChI=1S/C13H21N3O2/c1-3-15-13(18)9-16(2)8-12(17)10-6-4-5-7-11(10)14/h4-7,12,17H,3,8-9,14H2,1-2H3,(H,15,18)
InChIKeyMRTJNHSZZTURHY-UHFFFAOYSA-N
XLogP0.37
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-aminophenyl)methyl-methylamino]-N-ethylacetamide
CID 43458547
1-(2-aminophenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanol
CID 62266116
N-(2-aminophenyl)-2-[methyl(2-methylpropyl)amino]acetamide
CID 43271763
2-[1-(2-chlorophenyl)ethyl-methylamino]-N-ethylacetamide
CID 60505315
1-(2-aminophenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]ethanol
CID 81058667
1-(2-aminophenyl)-2-[3-(diethylamino)propyl-ethylamino]ethanol
CID 102991607
1-(2-aminophenyl)-2-[ethyl(2-hydroxyethyl)amino]ethanol
CID 62266300
2-[(2-aminophenyl)methyl-cyclopropylamino]-N-ethylacetamide
CID 43384134
2-[(2-aminophenyl)methyl-methylamino]-N-(3-methylbutyl)acetamide
CID 61486734
2-[[2-amino-1-(2-bromophenyl)propyl]-methylamino]-N-ethylacetamide
CID 55022786
2-[(2-aminophenyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 61114465
2-[(2-amino-5-chlorophenyl)methyl-methylamino]-N-ethylacetamide
CID 79582319

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-aminophenyl)-2-hydroxyethyl]-methylamino]-N-ethylacetamide?
The IUPAC name of 2-[[2-(2-aminophenyl)-2-hydroxyethyl]-methylamino]-N-ethylacetamide (CID 62265975) is 2-[[2-(2-aminophenyl)-2-hydroxyethyl]-methylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[[2-(2-aminophenyl)-2-hydroxyethyl]-methylamino]-N-ethylacetamide?
The canonical SMILES for 2-[[2-(2-aminophenyl)-2-hydroxyethyl]-methylamino]-N-ethylacetamide is CCNC(=O)CN(C)CC(O)c1ccccc1N.
What is the InChIKey of 2-[[2-(2-aminophenyl)-2-hydroxyethyl]-methylamino]-N-ethylacetamide?
The InChIKey is MRTJNHSZZTURHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-15-13(18)9-16(2)8-12(17)10-6-4-5-7-11(10)14/h4-7,12,17H,3,8-9,14H2,1-2H3,(H,15,18).
What are the key properties of 2-[[2-(2-aminophenyl)-2-hydroxyethyl]-methylamino]-N-ethylacetamide?
2-[[2-(2-aminophenyl)-2-hydroxyethyl]-methylamino]-N-ethylacetamide has a molecular weight of 251.33 g/mol, XLogP of 0.37, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-aminophenyl)-2-hydroxyethyl]-methylamino]-N-ethylacetamide is sourced from PubChem (CID 62265975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).