2-[(4-chlorophenyl)methylamino]ethyl acetate

C11H14ClNO2 — CID 10978321

IUPAC2-[(4-chlorophenyl)methylamino]ethyl acetate
SMILESCC(=O)OCCNCc1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO2/c1-9(14)15-7-6-13-8-10-2-4-11(12)5-3-10/h2-5,13H,6-8H2,1H3
InChIKeyXIIGWTLVBVPYSB-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.99
Rot. Bonds5

About 2-[(4-chlorophenyl)methylamino]ethyl acetate

2-[(4-chlorophenyl)methylamino]ethyl acetate (PubChem CID 10978321) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylamino]ethyl acetate.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylamino]ethyl acetate
PubChem CID10978321
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name2-[(4-chlorophenyl)methylamino]ethyl acetate
SMILESCC(=O)OCCNCc1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO2/c1-9(14)15-7-6-13-8-10-2-4-11(12)5-3-10/h2-5,13H,6-8H2,1H3
InChIKeyXIIGWTLVBVPYSB-UHFFFAOYSA-N
XLogP1.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylamino]ethyl acetate?
The IUPAC name of 2-[(4-chlorophenyl)methylamino]ethyl acetate (CID 10978321) is 2-[(4-chlorophenyl)methylamino]ethyl acetate.
What is the SMILES notation for 2-[(4-chlorophenyl)methylamino]ethyl acetate?
The canonical SMILES for 2-[(4-chlorophenyl)methylamino]ethyl acetate is CC(=O)OCCNCc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methylamino]ethyl acetate?
The InChIKey is XIIGWTLVBVPYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-9(14)15-7-6-13-8-10-2-4-11(12)5-3-10/h2-5,13H,6-8H2,1H3.
What are the key properties of 2-[(4-chlorophenyl)methylamino]ethyl acetate?
2-[(4-chlorophenyl)methylamino]ethyl acetate has a molecular weight of 227.69 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylamino]ethyl acetate is sourced from PubChem (CID 10978321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).