2-[(3-aminophenyl)methyl-cyclopropylamino]-1-morpholin-4-ylethanone

C16H23N3O2 — CID 43460799

IUPAC2-[(3-aminophenyl)methyl-cyclopropylamino]-1-morpholin-4-ylethanone
SMILESNc1cccc(CN(CC(=O)N2CCOCC2)C2CC2)c1
InChIInChI=1S/C16H23N3O2/c17-14-3-1-2-13(10-14)11-19(15-4-5-15)12-16(20)18-6-8-21-9-7-18/h1-3,10,15H,4-9,11-12,17H2
InChIKeyPEZBTZOLSOLADN-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.09
Rot. Bonds5

About 2-[(3-aminophenyl)methyl-cyclopropylamino]-1-morpholin-4-ylethanone

2-[(3-aminophenyl)methyl-cyclopropylamino]-1-morpholin-4-ylethanone (PubChem CID 43460799) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[(3-aminophenyl)methyl-cyclopropylamino]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(3-aminophenyl)methyl-cyclopropylamino]-1-morpholin-4-ylethanone
PubChem CID43460799
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-[(3-aminophenyl)methyl-cyclopropylamino]-1-morpholin-4-ylethanone
SMILESNc1cccc(CN(CC(=O)N2CCOCC2)C2CC2)c1
InChIInChI=1S/C16H23N3O2/c17-14-3-1-2-13(10-14)11-19(15-4-5-15)12-16(20)18-6-8-21-9-7-18/h1-3,10,15H,4-9,11-12,17H2
InChIKeyPEZBTZOLSOLADN-UHFFFAOYSA-N
XLogP1.09
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(3-aminophenyl)methyl-cyclopropylamino]-1-morpholin-4-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-aminophenyl)methyl-cyclohexylamino]acetamide
CID 43461239
2-[4-[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 78818597
2-[4-(aminomethyl)-N-cyclopropylanilino]-1-morpholin-4-ylethanone
CID 43276249
2-[(3-aminophenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 43383734
2-[2-aminoethyl(cyclopropyl)amino]-1-morpholin-4-ylethanone
CID 61349753
2-[(3-aminophenyl)methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide
CID 43461225
2-[cyclopropyl(2-hydroxyethyl)amino]-1-morpholin-4-ylethanone
CID 60774443
3-[[cyclopropyl-[(3,4-dichlorophenyl)methyl]amino]methyl]aniline
CID 43460843
3-[[cyclopropyl-[(3,5-dimethylphenyl)methyl]amino]methyl]aniline
CID 61030225
4-[[cyclopropyl-(3-morpholin-4-yl-3-oxopropyl)amino]methyl]benzamide
CID 46479991
3-(3-aminoanilino)-1-morpholin-4-ylpropan-1-one
CID 113411257
3-[[cyclopropyl(prop-2-enyl)amino]methyl]aniline
CID 115563307

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminophenyl)methyl-cyclopropylamino]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(3-aminophenyl)methyl-cyclopropylamino]-1-morpholin-4-ylethanone (CID 43460799) is 2-[(3-aminophenyl)methyl-cyclopropylamino]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(3-aminophenyl)methyl-cyclopropylamino]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(3-aminophenyl)methyl-cyclopropylamino]-1-morpholin-4-ylethanone is Nc1cccc(CN(CC(=O)N2CCOCC2)C2CC2)c1.
What is the InChIKey of 2-[(3-aminophenyl)methyl-cyclopropylamino]-1-morpholin-4-ylethanone?
The InChIKey is PEZBTZOLSOLADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c17-14-3-1-2-13(10-14)11-19(15-4-5-15)12-16(20)18-6-8-21-9-7-18/h1-3,10,15H,4-9,11-12,17H2.
What are the key properties of 2-[(3-aminophenyl)methyl-cyclopropylamino]-1-morpholin-4-ylethanone?
2-[(3-aminophenyl)methyl-cyclopropylamino]-1-morpholin-4-ylethanone has a molecular weight of 289.38 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminophenyl)methyl-cyclopropylamino]-1-morpholin-4-ylethanone is sourced from PubChem (CID 43460799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).