[4-[(2-aminophenyl)methylamino]cyclohexyl] acetate

C15H22N2O2 — CID 3022550

IUPAC[4-[(2-aminophenyl)methylamino]cyclohexyl] acetate
SMILESCC(=O)OC1CCC(NCc2ccccc2N)CC1
InChIInChI=1S/C15H22N2O2/c1-11(18)19-14-8-6-13(7-9-14)17-10-12-4-2-3-5-15(12)16/h2-5,13-14,17H,6-10,16H2,1H3
InChIKeyVPLIJSLZFWAYSJ-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.23
Rot. Bonds4

About [4-[(2-aminophenyl)methylamino]cyclohexyl] acetate

[4-[(2-aminophenyl)methylamino]cyclohexyl] acetate (PubChem CID 3022550) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is [4-[(2-aminophenyl)methylamino]cyclohexyl] acetate.

Molecular Properties

Compound Name[4-[(2-aminophenyl)methylamino]cyclohexyl] acetate
PubChem CID3022550
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name[4-[(2-aminophenyl)methylamino]cyclohexyl] acetate
SMILESCC(=O)OC1CCC(NCc2ccccc2N)CC1
InChIInChI=1S/C15H22N2O2/c1-11(18)19-14-8-6-13(7-9-14)17-10-12-4-2-3-5-15(12)16/h2-5,13-14,17H,6-10,16H2,1H3
InChIKeyVPLIJSLZFWAYSJ-UHFFFAOYSA-N
XLogP2.23
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[(2-aminophenyl)methylamino]cyclohexyl] acetate?
The IUPAC name of [4-[(2-aminophenyl)methylamino]cyclohexyl] acetate (CID 3022550) is [4-[(2-aminophenyl)methylamino]cyclohexyl] acetate.
What is the SMILES notation for [4-[(2-aminophenyl)methylamino]cyclohexyl] acetate?
The canonical SMILES for [4-[(2-aminophenyl)methylamino]cyclohexyl] acetate is CC(=O)OC1CCC(NCc2ccccc2N)CC1.
What is the InChIKey of [4-[(2-aminophenyl)methylamino]cyclohexyl] acetate?
The InChIKey is VPLIJSLZFWAYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(18)19-14-8-6-13(7-9-14)17-10-12-4-2-3-5-15(12)16/h2-5,13-14,17H,6-10,16H2,1H3.
What are the key properties of [4-[(2-aminophenyl)methylamino]cyclohexyl] acetate?
[4-[(2-aminophenyl)methylamino]cyclohexyl] acetate has a molecular weight of 262.35 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-aminophenyl)methylamino]cyclohexyl] acetate is sourced from PubChem (CID 3022550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).