(3,4-dimethylcyclohexyl) 2-(2-aminophenyl)acetate

C16H23NO2 — CID 64746109

IUPAC(3,4-dimethylcyclohexyl) 2-(2-aminophenyl)acetate
SMILESCC1CCC(OC(=O)Cc2ccccc2N)CC1C
InChIInChI=1S/C16H23NO2/c1-11-7-8-14(9-12(11)2)19-16(18)10-13-5-3-4-6-15(13)17/h3-6,11-12,14H,7-10,17H2,1-2H3
InChIKeyABCBKLBELMINNT-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.18
Rot. Bonds3

About (3,4-dimethylcyclohexyl) 2-(2-aminophenyl)acetate

(3,4-dimethylcyclohexyl) 2-(2-aminophenyl)acetate (PubChem CID 64746109) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is (3,4-dimethylcyclohexyl) 2-(2-aminophenyl)acetate.

Molecular Properties

Compound Name(3,4-dimethylcyclohexyl) 2-(2-aminophenyl)acetate
PubChem CID64746109
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name(3,4-dimethylcyclohexyl) 2-(2-aminophenyl)acetate
SMILESCC1CCC(OC(=O)Cc2ccccc2N)CC1C
InChIInChI=1S/C16H23NO2/c1-11-7-8-14(9-12(11)2)19-16(18)10-13-5-3-4-6-15(13)17/h3-6,11-12,14H,7-10,17H2,1-2H3
InChIKeyABCBKLBELMINNT-UHFFFAOYSA-N
XLogP3.18
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylcyclohexyl) 2-(2-aminophenyl)acetate?
The IUPAC name of (3,4-dimethylcyclohexyl) 2-(2-aminophenyl)acetate (CID 64746109) is (3,4-dimethylcyclohexyl) 2-(2-aminophenyl)acetate.
What is the SMILES notation for (3,4-dimethylcyclohexyl) 2-(2-aminophenyl)acetate?
The canonical SMILES for (3,4-dimethylcyclohexyl) 2-(2-aminophenyl)acetate is CC1CCC(OC(=O)Cc2ccccc2N)CC1C.
What is the InChIKey of (3,4-dimethylcyclohexyl) 2-(2-aminophenyl)acetate?
The InChIKey is ABCBKLBELMINNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11-7-8-14(9-12(11)2)19-16(18)10-13-5-3-4-6-15(13)17/h3-6,11-12,14H,7-10,17H2,1-2H3.
What are the key properties of (3,4-dimethylcyclohexyl) 2-(2-aminophenyl)acetate?
(3,4-dimethylcyclohexyl) 2-(2-aminophenyl)acetate has a molecular weight of 261.36 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylcyclohexyl) 2-(2-aminophenyl)acetate is sourced from PubChem (CID 64746109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).