2-[4-(aminomethyl)-N-cyclopropylanilino]-1-morpholin-4-ylethanone

C16H23N3O2 — CID 43276249

IUPAC2-[4-(aminomethyl)-N-cyclopropylanilino]-1-morpholin-4-ylethanone
SMILESNCc1ccc(N(CC(=O)N2CCOCC2)C2CC2)cc1
InChIInChI=1S/C16H23N3O2/c17-11-13-1-3-14(4-2-13)19(15-5-6-15)12-16(20)18-7-9-21-10-8-18/h1-4,15H,5-12,17H2
InChIKeyKUSWVCRCGQQEJC-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.97
Rot. Bonds5

About 2-[4-(aminomethyl)-N-cyclopropylanilino]-1-morpholin-4-ylethanone

2-[4-(aminomethyl)-N-cyclopropylanilino]-1-morpholin-4-ylethanone (PubChem CID 43276249) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-N-cyclopropylanilino]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-(aminomethyl)-N-cyclopropylanilino]-1-morpholin-4-ylethanone
PubChem CID43276249
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-[4-(aminomethyl)-N-cyclopropylanilino]-1-morpholin-4-ylethanone
SMILESNCc1ccc(N(CC(=O)N2CCOCC2)C2CC2)cc1
InChIInChI=1S/C16H23N3O2/c17-11-13-1-3-14(4-2-13)19(15-5-6-15)12-16(20)18-7-9-21-10-8-18/h1-4,15H,5-12,17H2
InChIKeyKUSWVCRCGQQEJC-UHFFFAOYSA-N
XLogP0.97
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 ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-N-cyclopropylanilino]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-(aminomethyl)-N-cyclopropylanilino]-1-morpholin-4-ylethanone (CID 43276249) is 2-[4-(aminomethyl)-N-cyclopropylanilino]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-(aminomethyl)-N-cyclopropylanilino]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-(aminomethyl)-N-cyclopropylanilino]-1-morpholin-4-ylethanone is NCc1ccc(N(CC(=O)N2CCOCC2)C2CC2)cc1.
What is the InChIKey of 2-[4-(aminomethyl)-N-cyclopropylanilino]-1-morpholin-4-ylethanone?
The InChIKey is KUSWVCRCGQQEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c17-11-13-1-3-14(4-2-13)19(15-5-6-15)12-16(20)18-7-9-21-10-8-18/h1-4,15H,5-12,17H2.
What are the key properties of 2-[4-(aminomethyl)-N-cyclopropylanilino]-1-morpholin-4-ylethanone?
2-[4-(aminomethyl)-N-cyclopropylanilino]-1-morpholin-4-ylethanone has a molecular weight of 289.38 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-N-cyclopropylanilino]-1-morpholin-4-ylethanone is sourced from PubChem (CID 43276249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).